#!/bin/sh

# Collect -D & -m options as java arguments
command=java
while [ `echo $1 | egrep '^-D|^-m' | wc -l` != 0 ]; do
	command="$command $1"
	shift
done

if [ -f ./Jmol.jar ] ; then
  jarpath=./Jmol.jar
elif [ -f $JMOL_HOME/Jmol.jar ] ; then
  jarpath=$JMOL_HOME/Jmol.jar
elif [ -f /usr/share/jmol/Jmol.jar ] ; then
  jarpath=/usr/share/jmol/Jmol.jar
else
  echo Jmol.jar not found
  exit
fi
$command -Xmx512m -jar $jarpath $@
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        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6@'>}8Õq_ȴ8BeE|w5i_1 kk>ƓԅKdPK
    +:j  9
  4   org/jmol/adapter/readers/more/FoldingXyzReader.classU[e;_ hf겮m%FJ"R;
e}h><dqEuݟP93j`Ϟs9zϼo~A q%:4P9Mܩ"43i	avaBX{1ig9ߧ`?xQv 0ûtq8B^brW;n38&)&f VЇ~vVpBIKfӀkﴭ ᨀ҄m]r3@[!@ޑn@ 1aLc&&M7ag2f--)#c;z{ML Kim؉)#N,54Sp+595l6dD/3wd4	pәXuH>iZ3U8JjlO]h8GipTx2W/@خj45|#?o<oja5w5Ǳ5|||3&_+_7VwFqAE&3y?h%,nA혱)`}n{M	MVqherciFlTߖh~WkqSo۩1ޠ佯eD	jf79ɛG4y<5L<Y/fr#MoUǦtwzTŌZojʘV﵌5R~ֆ'6y=,6?Xnp\:I%Hc|BKCs'aM6MfWtAS3kZnr({	88/Znm]tJͻ7EdlBc̞2^Ozagow591t$tۊV]J:/{6^:1XV%D,'."S~~dQ=~4:)Ho@jdĴi6FC.`uN|ylETO5^cVxѭKS>%mDIWTh	y WU7Qάށ1f:DUu<|b\D ].OH\DEEQ3J]Q2KB.%Q+emP%^tux̋~愍sB8/dym\&,PZ?3h5	$vOcSG$AԾ}+tpnhE];7d63=@]\تl2YP
˄U2ו:]M#
t2EiuZ\"N@BR;$vx6K00,CY庸MWvsTWvA^z=XK^te$EWFQtpuIWvȤL"?PK
    +:v    0   org/jmol/adapter/readers/more/GamessReader.classXx>7;;3;{`a!VT,A+.jB@X˰;]jc߭hMi>B)mڇV[>%=nb-_rs=<{ Z5Hu	o&2LzB[xJIvޡVx'wnZ"7W&Qi(7Ӓ$ 	n!r&(p:nDFT
iq>
|ROѺO+pm>(
w]*ܭ vipRar
_T^#Gp?yuD_"qd+*|MK1xPȗ
 7UV;4~W}~#2c'x%S"gD~N{/<N	T)3f;܂gܠɔi٦SOd!cmټwbe62n{^@κ̼@/Iy;v̛;3*Λ܄r̻ުS=fBy^@pSYf|JAgsɞ-XڄjiveL2ז˚*Zwp]/e;f|IZCSWfr֚9u4OOtQ7i[Z-".z'2L[Eۧ/^.	rvzUIlq:XN*ҜIvَ!) 4`f0ʎv"CȢ~8<p~"õ+O8<F'%?_fO嗠ru^ oE  ̅7'pֲp"d5+\?bj't_*㬆b1#Lb~\.;]S8ɼ(<;kVEAai,FrP*E2m۶qVI*7pVbnEfg3ɐֹi-{:
řf#fe]eswa{8CX2=3	T`y}d
I+6s)޽MᄓKYwŊ6D۝t.+VpsD ~#Ia8[Fd39[̖p̖rauDZDO\[rGr+oD%3'q0z);4PMUrf5WRFHIY{zT<	^iYyiPbUTj}ZtMP]htJWVVџB0`EeNvn'c0fXY,qPV)vD>3K":k|Sj-q0Eri
oy띢XmrVg5ԉHY;؇az;sݯO)Y2ئ7=	|rrA$ v&.͉*)GWyw0sIq_Bjv9KUoZqyK1UVs=f"݈é1#rD=5zK[kqbDղx~ٺN5^M/nqoC(uN|O0D~i
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 A:!Ph@FND (1tB@A:!`rF^3BAz!0F^2B`C  j{EWĀ֗ V#cX1"hVgϘ4aղ^l	a}WEY?v>ϖEl dW㝮g-l	]l(Ȇ)6=Fl{foaclgr9`_a/&r&;#aGh>M#1|;Obc~";Wlv"ϦILv2Y%ofU<ΪyM26_f,~+ױS}l叱s6?;a?l'[,;]agL1%gglǲsI3Xa53#YpYhe-bsJvEu,&nbqcwGb+KYZ`2ˊ7Yx-]g+Wv"f+eXc!R9]&(v<])*9Ur1Z.eH]+c:f?+y)^^n׳ZCyIn[l|*e?ϳnc6|.?aw?uolS~RAv*f^^5ݧjۨ&1j*{@Mg!UVgMfY%Uqu-{BmU'՝gj#{Jmb?WO_ml`Ov{F˞U>KP_lg@]|^f/F+#٫)lw^go7g_[({;b{%j^`u=lo`03Q.qUI-o}Oe|>d
؟E/A>σ_߂߃ؗ9Bv }<#La7o?,.n*x0{8>(x<P^B#Up{ޡOhZ&~X(J>(CBkZǇ6aMV><#C>:	cC>>tCW@O>|"`$?*0S0OyXď8hS 6~'*>`-?J`|laLg^>S`?\8k
|^A/*xmd^W`_T0/.XO/Xʗ43
̂6~VJ~v*`?`-?`6M`+o,Ν]`7o.[
r`?`?ూ<D8>5<S
OTmy|Yx_^M|E8/+EU|ex8_^/o7[.*W5~] Aa)
GV
'[
g

'mU|]p-pppp+p;pPo,/Z?P?Xx?Tx?\䛊">|s`h$?V4?^4?Q4o-ǟ,ZV?U^(jۊVVEk3EkEsE/6񎢭|GvhU?_PXT\tRtZ介#>
|O<N"nR^quq_P-^?,^?*^[\Rx;}.x7C}OE|$?_D*#~ 2YYi$#m?U`d&V:#l2Uvn+
"D8_FAQ\()#JKBTS2Y**z}J找%DI8$!%+ŠUbp1dJ։%İMbxv1dY[*#FcJ%Ÿb|AQ^1X:XL*)(GNGNGKcJcKJĔ҄8MPRXJL-]#N*]+N.]'*K7MtV]L/%f3KY{}bN1)ye1XP6XZ6R,,eE]TqZlX\H^T,)kg%ęem⬲UbiqNZqn:ameDCVX]8eDSn\Gn>q^~-; beE\EBGDRz8_)]!z"DqB\*B3PK
     +:            	         A    META-INF/  PK
    +:                 +   META-INF/MANIFEST.MFPK
     +:                      A   org/PK
     +:            	          A   org/jmol/PK
     +:                      A'  org/jmol/translation/PK
     +:                       AZ  org/jmol/translation/JmolApplet/PK
    +:Lk3M  0  3             org/jmol/translation/JmolApplet/Messages_ca$1.classPK
    +:AE  -x  1             org/jmol/translation/JmolApplet/Messages_ca.classPK
    +:YEE  0  3           I  org/jmol/translation/JmolApplet/Messages_cs$1.classPK
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    +:  0  3           ~  org/jmol/translation/JmolApplet/Messages_da$1.classPK
    +:Ԫ{sl    1           -  org/jmol/translation/JmolApplet/Messages_da.classPK
    +:  0  3             org/jmol/translation/JmolApplet/Messages_de$1.classPK
    +:gC  r  1           $  org/jmol/translation/JmolApplet/Messages_de.classPK
    +:4  ?  6           0  org/jmol/translation/JmolApplet/Messages_en_GB$1.classPK
    +:a.  P  4           u  org/jmol/translation/JmolApplet/Messages_en_GB.classPK
    +:'`  0  3            org/jmol/translation/JmolApplet/Messages_es$1.classPK
    +: *F  y  1            org/jmol/translation/JmolApplet/Messages_es.classPK
    +:os  0  3           T org/jmol/translation/JmolApplet/Messages_et$1.classPK
    +:f  q  1           W org/jmol/translation/JmolApplet/Messages_et.classPK
    +:
  0  3           'k org/jmol/translation/JmolApplet/Messages_fr$1.classPK
    +:YX=  g  1           dm org/jmol/translation/JmolApplet/Messages_fr.classPK
    +:RJ  0  3            org/jmol/translation/JmolApplet/Messages_hu$1.classPK
    +:,s0  M  1            org/jmol/translation/JmolApplet/Messages_hu.classPK
    +:[  0  3           H org/jmol/translation/JmolApplet/Messages_it$1.classPK
    +:^6  [  1            org/jmol/translation/JmolApplet/Messages_it.classPK
    +:*7  0  3           2 org/jmol/translation/JmolApplet/Messages_ko$1.classPK
    +:h[B  ^l  1           p org/jmol/translation/JmolApplet/Messages_ko.classPK
    +:Y  0  3           Z org/jmol/translation/JmolApplet/Messages_nb$1.classPK
    +:C    1           ] org/jmol/translation/JmolApplet/Messages_nb.classPK
    +:K8\  0  3           k org/jmol/translation/JmolApplet/Messages_nl$1.classPK
    +:υk^C  s  1           @m org/jmol/translation/JmolApplet/Messages_nl.classPK
    +:bqZ  0  3           - org/jmol/translation/JmolApplet/Messages_pt$1.classPK
    +:YU  )  1           i org/jmol/translation/JmolApplet/Messages_pt.classPK
    +::k  ?  6           7 org/jmol/translation/JmolApplet/Messages_pt_BR$1.classPK
    +:6|F  Az  4           { org/jmol/translation/JmolApplet/Messages_pt_BR.classPK
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    +:	π  S
  1            org/jmol/translation/JmolApplet/Messages_sl.classPK
    +:  -  3            org/jmol/translation/JmolApplet/Messages_sv$1.classPK
    +:kR6  	  1           ! org/jmol/translation/JmolApplet/Messages_sv.classPK
    +:G  0  3           D( org/jmol/translation/JmolApplet/Messages_tr$1.classPK
    +:KXK6  Z  1           * org/jmol/translation/JmolApplet/Messages_tr.classPK    * *    a                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          3TTJ3@!g2	-u{_}o&bl5Y6_59Y*e2gp3⬚\{EW
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*dUӧe||nmq=kO*5^%u{gf>kEGgKA\Kt}V=rhpG0
Ț{{CE9NImڄ\L*/GJ/gG4x1۵ |)p@/yVk`V\Y:bz1?K_0܇/kuT.0</TD></TR>
<TR><TD>H1A-C1-H1B</TD><TD>107.8</TD><TD>C5-C2-C4</TD><TD>109.65(15)</TD></TR>
<TR><TD>C5-C2-C3</TD><TD>110.37(16)</TD><TD>C4-C2-C3</TD><TD>110.66(16)</TD></TR>
<TR><TD>C5-C2-S1</TD><TD>111.03(10)</TD><TD>C4-C2-S1</TD><TD>110.45(12)</TD></TR>
<TR><TD>C3-C2-S1</TD><TD>104.60(12)</TD><TD>C2-C3-H3A</TD><TD>109.5</TD></TR>
<TR><TD>C2-C3-H3B</TD><TD>109.5</TD><TD>H3A-C3-H3B</TD><TD>109.5</TD></TR>
<TR><TD>C2-C3-H3C</TD><TD>109.5</TD><TD>H3A-C3-H3C</TD><TD>109.5</TD></TR>
<TR><TD>H3B-C3-H3C</TD><TD>109.5</TD><TD>C2-C4-H4A</TD><TD>109.5</TD></TR>
<TR><TD>C2-C4-H4B</TD><TD>109.5</TD><TD>H4A-C4-H4B</TD><TD>109.5</TD></TR>
<TR><TD>C2-C4-H4C</TD><TD>109.5</TD><TD>H4A-C4-H4C</TD><TD>109.5</TD></TR>
<TR><TD>H4B-C4-H4C</TD><TD>109.5</TD><TD>C2-C5-H5A</TD><TD>109.5</TD></TR>
<TR><TD>C2-C5-H5B</TD><TD>109.5</TD><TD>H5A-C5-H5B</TD><TD>109.5</TD></TR>
<TR><TD>C2-C5-H5C</TD><TD>109.5</TD><TD>H5A-C5-H5C</TD><TD>109.5</TD></TR>
<TR><TD>H5B-C5-H5C</TD><TD>109.5</TD><TD>B1-C6-S2</TD><TD>111.38(9)</TD></TR>
<TR><TD>B1-C6-H6A</TD><TD>109.4</TD><TD>S2-C6-H6A</TD><TD>109.4</TD></TR>
<TR><TD>B1-C6-H6B</TD><TD>109.4</TD><TD>S2-C6-H6B</TD><TD>109.4</TD></TR>
<TR><TD>H6A-C6-H6B</TD><TD>108.0</TD><TD>C9-C7-C8</TD><TD>110.09(16)</TD></TR>
<TR><TD>C9-C7-C10</TD><TD>110.01(16)</TD><TD>C8-C7-C10</TD><TD>110.30(17)</TD></TR>
<TR><TD>C9-C7-S2</TD><TD>110.32(12)</TD><TD>C8-C7-S2</TD><TD>111.32(13)</TD></TR>
<TR><TD>C10-C7-S2</TD><TD>104.69(12)</TD><TD>C7-C8-H8A</TD><TD>109.5</TD></TR>
<TR><TD>C7-C8-H8B</TD><TD>109.5</TD><TD>H8A-C8-H8B</TD><TD>109.5</TD></TR>
<TR><TD>C7-C8-H8C</TD><TD>109.5</TD><TD>H8A-C8-H8C</TD><TD>109.5</TD></TR>
<TR><TD>H8B-C8-H8C</TD><TD>109.5</TD><TD>C7-C9-H9A</TD><TD>109.5</TD></TR>
<TR><TD>C7-C9-H9B</TD><TD>109.5</TD><TD>H9A-C9-H9B</TD><TD>109.5</TD></TR>
<TR><TD>C7-C9-H9C</TD><TD>109.5</TD><TD>H9A-C9-H9C</TD><TD>109.5</TD></TR>
<TR><TD>H9B-C9-H9C</TD><TD>109.5</TD><TD>C7-C10-H10A</TD><TD>109.5</TD></TR>
<TR><TD>C7-C10-H10B</TD><TD>109.5</TD><TD>H10A-C10-H10B</TD><TD>109.5</TD></TR>
<TR><TD>C7-C10-H10C</TD><TD>109.5</TD><TD>H10A-C10-H10C</TD><TD>109.5</TD></TR>
<TR><TD>H10B-C10-H10C</TD><TD>109.5</TD><TD>B1-C11-S3</TD><TD>113.12(10)</TD></TR>
<TR><TD>B1-C11-H11A</TD><TD>109.0</TD><TD>S3-C11-H11A</TD><TD>109.0</TD></TR>
<TR><TD>B1-C11-H11B</TD><TD>109.0</TD><TD>S3-C11-H11B</TD><TD>109.0</TD></TR>
<TR><TD>H11A-C11-H11B</TD><TD>107.8</TD><TD>C15-C12-C13</TD><TD>111.3(2)</TD></TR>
<TR><TD>C15-C12-C14</TD><TD>110.33(19)</TD><TD>C13-C12-C14</TD><TD>109.25(16)</TD></TR>
<TR><TD>C15-C12-S3</TD><TD>111.46(14)</TD><TD>C13-C12-S3</TD><TD>109.46(13)</TD></TR>
<TR><TD>C14-C12-S3</TD><TD>104.80(13)</TD><TD>C12-C13-H13A</TD><TD>109.5</TD></TR>
<TR><TD>C12-C13-H13B</TD><TD>109.5</TD><TD>H13A-C13-H13B</TD><TD>109.5</TD></TR>
<TR><TD>C12-C13-H13C</TD><TD>109.5</TD><TD>H13A-C13-H13C</TD><TD>109.5</TD></TR>
<TR><TD>H13B-C13-H13C</TD><TD>109.5</TD><TD>C12-C14-H14A</TD><TD>109.5</TD></TR>
<TR><TD>C12-C14-H14B</TD><TD>109.5</TD><TD>H14A-C14-H14B</TD><TD>109.5</TD></TR>
<TR><TD>C12-C14-H14C</TD><TD>109.5</TD><TD>H14A-C14-H14C</TD><TD>109.5</TD></TR>
<TR><TD>H14B-C14-H14C</TD><TD>109.5</TD><TD>C12-C15-H15A</TD><TD>109.5</TD></TR>
<TR><TD>C12-C15-H15B</TD><TD>109.5</TD><TD>H15A-C15-H15B</TD><TD>109.5</TD></TR>
<TR><TD>C12-C15-H15C</TD><TD>109.5</TD><TD>H15A-C15-H15C</TD><TD>109.5</TD></TR>
<TR><TD>H15B-C15-H15C</TD><TD>109.5</TD><TD>P1-C16-H16A</TD><TD>109.5</TD></TR>
<TR><TD>P1-C16-H16B</TD><TD>109.5</TD><TD>H16A-C16-H16B</TD><TD>109.5</TD></TR>
<TR><TD>P1-C16-H16C</TD><TD>109.5</TD><TD>H16A-C16-H16C</TD><TD>109.5</TD></TR>
<TR><TD>H16B-C16-H16C</TD><TD>109.5</TD><TD>P1-C17-H17A</TD><TD>109.5</TD></TR>
<TR><TD>P1-C17-H17B</TD><TD>109.5</TD><TD>H17A-C17-H17B</TD><TD>109.5</TD></TR>
<TR><TD>P1-C17-H17C</TD><TD>109.5</TD><TD>H17A-C17-H17C</TD><TD>109.5</TD></TR>
<TR><TD>H17B-C17-H17C</TD><TD>109.5</TD><TD>P1-C18-H18A</TD><TD>109.5</TD></TR>
<TR><TD>P1-C18-H18B</TD><TD>109.5</TD><TD>H18A-C18-H18B</TD><TD>109.5</TD></TR>
<TR><TD>P1-C18-H18C</TD><TD>109.5</TD><TD>H18A-C18-H18C</TD><TD>109.5</TD></TR>
<TR><TD>H18B-C18-H18C</TD><TD>109.5</TD><TD></TD><TD></TD></TR>

</table>





<!-- Torsion angles -->
<br>
<br>
<table width="60%">
    <tr><td><font size="+2"><b>
        Table 6. Torsion angles (&deg;) for char422.
    </b></font></tr>
</table>
<table width="60%" frame=hsides rules=groups>
    <col align=left span=4>
    <TR><TD>C17-P1-B1-C1</TD><TD>92.06(12)</TD><TD>C16-P1-B1-C1</TD><TD>-148.46(11)</TD></TR>
<TR><TD>C18-P1-B1-C1</TD><TD>-28.72(13)</TD><TD>C17-P1-B1-C6</TD><TD>-148.55(10)</TD></TR>
<TR><TD>C16-P1-B1-C6</TD><TD>-29.06(12)</TD><TD>C18-P1-B1-C6</TD><TD>90.67(11)</TD></TR>
<TR><TD>C17-P1-B1-C11</TD><TD>-27.80(13)</TD><TD>C16-P1-B1-C11</TD><TD>91.69(12)</TD></TR>
<TR><TD>C18-P1-B1-C11</TD><TD>-148.58(11)</TD><TD>C6-B1-C1-S1</TD><TD>179.44(10)</TD></TR>
<TR><TD>C11-B1-C1-S1</TD><TD>55.84(15)</TD><TD>P1-B1-C1-S1</TD><TD>-62.74(12)</TD></TR>
<TR><TD>C2-S1-C1-B1</TD><TD>174.01(11)</TD><TD>C1-S1-C2-C5</TD><TD>55.26(14)</TD></TR>
<TR><TD>C1-S1-C2-C4</TD><TD>-66.61(14)</TD><TD>C1-S1-C2-C3</TD><TD>174.30(13)</TD></TR>
<TR><TD>C1-B1-C6-S2</TD><TD>52.77(15)</TD><TD>C11-B1-C6-S2</TD><TD>175.86(11)</TD></TR>
<TR><TD>P1-B1-C6-S2</TD><TD>-65.23(12)</TD><TD>C7-S2-C6-B1</TD><TD>173.77(11)</TD></TR>
<TR><TD>C6-S2-C7-C9</TD><TD>61.26(14)</TD><TD>C6-S2-C7-C8</TD><TD>-61.26(15)</TD></TR>
<TR><TD>C6-S2-C7-C10</TD><TD>179.57(14)</TD><TD>C1-B1-C11-S3</TD><TD>177.10(11)</TD></TR>
<TR><TD>C6-B1-C11-S3</TD><TD>54.08(16)</TD><TD>P1-B1-C11-S3</TD><TD>-64.49(12)</TD></TR>
<TR><TD>C12-S3-C11-B1</TD><TD>176.93(12)</TD><TD>C11-S3-C12-C15</TD><TD>-58.2(2)</TD></TR>
<TR><TD>C11-S3-C12-C13</TD><TD>65.35(15)</TD><TD>C11-S3-C12-C14</TD><TD>-177.59(13)</TD></TR>

</table>





<!-- Anisotropic displacement parameters -->
<br>
    <br>
    <table width="70%">
    <tr><td><font size="+2"><b>
        Table 7. Anisotropic atomic displacement parameters (&Aring;<sup>2</sup>)
        for char422.
    </b></font></tr>
    <tr><td><small>
        The anisotropic atomic displacement factor exponent takes the form:
        -2&pi;<sup>2</sup>[ h<sup>2</sup> a<sup>*2</sup> U<sub>11</sub> + ... + 2 h k a<sup>*</sup> b<sup>*</sup> U<sub>12</sub> ]
    </small></tr>
</table>
<table width="70%" frame=hsides rules=groups>
    <col align=left>
    <col align=left span=6>
    <thead><tr><th><th>U<sub>11</sub><th>U<sub>22</sub><th>U<sub>33</sub><th>U<sub>23</sub><th>U<sub>13</sub><th>U<sub>12</sub></tr></thead>
    <tbody>
    <TR><TD>P1</TD><TD>0.0345(2)</TD><TD>0.0326(2)</TD><TD>0.0389(2)</TD><TD>-0.00091(16)</TD><TD>-0.00193(15)</TD><TD>0.00004(15)</TD></TR>
<TR><TD>S1</TD><TD>0.0422(2)</TD><TD>0.0423(3)</TD><TD>0.0343(2)</TD><TD>0.00043(16)</TD><TD>-0.00292(15)</TD><TD>0.01010(16)</TD></TR>
<TR><TD>S2</TD><TD>0.03271(19)</TD><TD>0.0463(3)</TD><TD>0.0490(2)</TD><TD>-0.01155(18)</TD><TD>-0.00406(16)</TD><TD>0.00666(16)</TD></TR>
<TR><TD>S3</TD><TD>0.03159(18)</TD><TD>0.0513(3)</TD><TD>0.0383(2)</TD><TD>0.00298(17)</TD><TD>-0.00295(14)</TD><TD>0.00726(16)</TD></TR>
<TR><TD>B1</TD><TD>0.0292(7)</TD><TD>0.0316(9)</TD><TD>0.0340(8)</TD><TD>0.0013(7)</TD><TD>-0.0020(6)</TD><TD>0.0022(6)</TD></TR>
<TR><TD>C1</TD><TD>0.0380(7)</TD><TD>0.0372(9)</TD><TD>0.0350(7)</TD><TD>0.0007(6)</TD><TD>-0.0046(6)</TD><TD>0.0056(6)</TD></TR>
<TR><TD>C2</TD><TD>0.0432(8)</TD><TD>0.0405(10)</TD><TD>0.0391(8)</TD><TD>0.0012(7)</TD><TD>-0.0135(6)</TD><TD>0.0022(7)</TD></TR>
<TR><TD>C3</TD><TD>0.1048(17)</TD><TD>0.0643(14)</TD><TD>0.0408(10)</TD><TD>-0.0061(9)</TD><TD>-0.0222(10)</TD><TD>0.0085(12)</TD></TR>
<TR><TD>C4</TD><TD>0.0396(9)</TD><TD>0.0529(12)</TD><TD>0.0804(13)</TD><TD>0.0094(10)</TD><TD>-0.0183(9)</TD><TD>-0.0040(8)</TD></TR>
<TR><TD>C5</TD><TD>0.0513(9)</TD><TD>0.0476(11)</TD><TD>0.0498(10)</TD><TD>0.0107(8)</TD><TD>-0.0128(7)</TD><TD>-0.0050(8)</TD></TR>
<TR><TD>C6</TD><TD>0.0301(7)</TD><TD>0.0357(9)</TD><TD>0.0391(8)</TD><TD>-0.0018(6)</TD><TD>-0.0016(5)</TD><TD>0.0022(6)</TD></TR>
<TR><TD>C7</TD><TD>0.0420(8)</TD><TD>0.0414(10)</TD><TD>0.0441(9)</TD><TD>-0.0061(7)</TD><TD>0.0040(6)</TD><TD>0.0078(7)</TD></TR>
<TR><TD>C8</TD><TD>0.0855(15)</TD><TD>0.0606(14)</TD><TD>0.0451(10)</TD><TD>0.0053(9)</TD><TD>0.0111(9)</TD><TD>0.0127(11)</TD></TR>
<TR><TD>C9</TD><TD>0.0626(11)</TD><TD>0.0407(11)</TD><TD>0.0627(12)</TD><TD>-0.0114(9)</TD><TD>-0.0053(9)</TD><TD>0.0037(8)</TD></TR>
<TR><TD>C10</TD><TD>0.0497(10)</TD><TD>0.0839(17)</TD><TD>0.0855(15)</TD><TD>-0.0273(13)</TD><TD>0.0143(10)</TD><TD>0.0156(11)</TD></TR>
<TR><TD>C11</TD><TD>0.0296(7)</TD><TD>0.0451(10)</TD><TD>0.0356(7)</TD><TD>0.0031(7)</TD><TD>-0.0009(5)</TD><TD>0.0046(6)</TD></TR>
<TR><TD>C12</TD><TD>0.0342(8)</TD><TD>0.0572(11)</TD><TD>0.0482(9)</TD><TD>-0.0070(8)</TD><TD>-0.0017(6)</TD><TD>0.0153(7)</TD></TR>
<TR><TD>C13</TD><TD>0.0406(9)</TD><TD>0.0910(18)</TD><TD>0.0860(15)</TD><TD>0.0275(13)</TD><TD>0.0113(9)</TD><TD>0.0070(10)</TD></TR>
<TR><TD>C14</TD><TD>0.0449(10)</TD><TD>0.0706(14)</TD><TD>0.0761(14)</TD><TD>0.0108(11)</TD><TD>-0.0091(9)</TD><TD>0.0209(9)</TD></TR>
<TR><TD>C15</TD><TD>0.0755(15)</TD><TD>0.132(3)</TD><TD>0.0926(18)</TD><TD>-0.0655(18)</TD><TD>-0.0164(13)</TD><TD>0.0493(16)</TD></TR>
<TR><TD>C16</TD><TD>0.0591(10)</TD><TD>0.0408(10)</TD><TD>0.0445(9)</TD><TD>0.0073(8)</TD><TD>-0.0002(7)</TD><TD>-0.0041(8)</TD></TR>
<TR><TD>C17</TD><TD>0.0600(11)</TD><TD>0.0387(11)</TD><TD>0.0603(11)</TD><TD>-0.0113(8)</TD><TD>0.0001(8)</TD><TD>0.0053(8)</TD></TR>
<TR><TD>C18</TD><TD>0.0381(8)</TD><TD>0.0499(11)</TD><TD>0.0617(11)</TD><TD>-0.0007(9)</TD><TD>-0.0046(7)</TD><TD>-0.0087(8)</TD></TR>

    </tbody>
</table>





<!-- Hydrogen atom coordinates and isotropic atomic displacement parameters -->
<br>
<br>
<table width="50%">
    <tr><td><font size="+2"><b>
        Table 8. Hydrogen atomic coordinates and isotropic atomic displacement
        parameters (&Aring;<sup>2</sup>) for char422.
    </b></font></tr>
</table>
<table width="50%" frame=hsides rules=groups>
    <col align=left>
    <col align=left span=4>
    <thead><tr><th><th>x/a<th>y/b<th>z/c<th>U(eq)</tr></thead>
    <tbody>
    <TR><TD>H1A</TD><TD>0.4525</TD><TD>0.7561</TD><TD>0.6923</TD><TD>0.044</TD></TR>
<TR><TD>H1B</TD><TD>0.3332</TD><TD>0.7009</TD><TD>0.7139</TD><TD>0.044</TD></TR>
<TR><TD>H3A</TD><TD>0.3247</TD><TD>0.5648</TD><TD>0.4591</TD><TD>0.105</TD></TR>
<TR><TD>H3B</TD><TD>0.4311</TD><TD>0.6379</TD><TD>0.4389</TD><TD>0.105</TD></TR>
<TR><TD>H3C</TD><TD>0.3013</TD><TD>0.6679</TD><TD>0.4117</TD><TD>0.105</TD></TR>
<TR><TD>H4A</TD><TD>0.1576</TD><TD>0.7229</TD><TD>0.5199</TD><TD>0.087</TD></TR>
<TR><TD>H4B</TD><TD>0.1973</TD><TD>0.7163</TD><TD>0.6135</TD><TD>0.087</TD></TR>
<TR><TD>H4C</TD><TD>0.1788</TD><TD>0.6158</TD><TD>0.5616</TD><TD>0.087</TD></TR>
<TR><TD>H5A</TD><TD>0.3253</TD><TD>0.8325</TD><TD>0.4874</TD><TD>0.075</TD></TR>
<TR><TD>H5B</TD><TD>0.4546</TD><TD>0.7993</TD><TD>0.5133</TD><TD>0.075</TD></TR>
<TR><TD>H5C</TD><TD>0.3634</TD><TD>0.8306</TD><TD>0.5814</TD><TD>0.075</TD></TR>
<TR><TD>H6A</TD><TD>0.5189</TD><TD>0.7647</TD><TD>0.8526</TD><TD>0.042</TD></TR>
<TR><TD>H6B</TD><TD>0.5029</TD><TD>0.6656</TD><TD>0.9065</TD><TD>0.042</TD></TR>
<TR><TD>H8A</TD><TD>0.3703</TD><TD>0.7691</TD><TD>1.0964</TD><TD>0.095</TD></TR>
<TR><TD>H8B</TD><TD>0.4495</TD><TD>0.7113</TD><TD>1.0323</TD><TD>0.095</TD></TR>
<TR><TD>H8C</TD><TD>0.3190</TD><TD>0.6744</TD><TD>1.0478</TD><TD>0.095</TD></TR>
<TR><TD>H9A</TD><TD>0.3725</TD><TD>0.9402</TD><TD>0.9301</TD><TD>0.083</TD></TR>
<TR><TD>H9B</TD><TD>0.4822</TD><TD>0.8760</TD><TD>0.9613</TD><TD>0.083</TD></TR>
<TR><TD>H9C</TD><TD>0.4004</TD><TD>0.9310</TD><TD>1.0254</TD><TD>0.083</TD></TR>
<TR><TD>H10A</TD><TD>0.1944</TD><TD>0.8658</TD><TD>1.0454</TD><TD>0.109</TD></TR>
<TR><TD>H10B</TD><TD>0.1505</TD><TD>0.7725</TD><TD>0.9919</TD><TD>0.109</TD></TR>
<TR><TD>H10C</TD><TD>0.1730</TD><TD>0.8788</TD><TD>0.9496</TD><TD>0.109</TD></TR>
<TR><TD>H11A</TD><TD>0.6557</TD><TD>0.6722</TD><TD>0.7404</TD><TD>0.044</TD></TR>
<TR><TD>H11B</TD><TD>0.6182</TD><TD>0.5629</TD><TD>0.7095</TD><TD>0.044</TD></TR>
<TR><TD>H13A</TD><TD>0.9085</TD><TD>0.6662</TD><TD>0.8290</TD><TD>0.109</TD></TR>
<TR><TD>H13B</TD><TD>0.8579</TD><TD>0.6598</TD><TD>0.7380</TD><TD>0.109</TD></TR>
<TR><TD>H13C</TD><TD>0.9810</TD><TD>0.6098</TD><TD>0.7603</TD><TD>0.109</TD></TR>
<TR><TD>H14A</TD><TD>0.8667</TD><TD>0.4122</TD><TD>0.8851</TD><TD>0.096</TD></TR>
<TR><TD>H14B</TD><TD>0.9088</TD><TD>0.5194</TD><TD>0.9183</TD><TD>0.096</TD></TR>
<TR><TD>H14C</TD><TD>0.9866</TD><TD>0.4594</TD><TD>0.8546</TD><TD>0.096</TD></TR>
<TR><TD>H15A</TD><TD>0.9135</TD><TD>0.4412</TD><TD>0.7099</TD><TD>0.15</TD></TR>
<TR><TD>H15B</TD><TD>0.7917</TD><TD>0.4907</TD><TD>0.6836</TD><TD>0.15</TD></TR>
<TR><TD>H15C</TD><TD>0.7943</TD><TD>0.3952</TD><TD>0.7426</TD><TD>0.15</TD></TR>
<TR><TD>H16A</TD><TD>0.3644</TD><TD>0.4041</TD><TD>0.9118</TD><TD>0.072</TD></TR>
<TR><TD>H16B</TD><TD>0.3590</TD><TD>0.5202</TD><TD>0.9366</TD><TD>0.072</TD></TR>
<TR><TD>H16C</TD><TD>0.4823</TD><TD>0.4666</TD><TD>0.9245</TD><TD>0.072</TD></TR>
<TR><TD>H17A</TD><TD>0.5378</TD><TD>0.3858</TD><TD>0.7655</TD><TD>0.08</TD></TR>
<TR><TD>H17B</TD><TD>0.4573</TD><TD>0.4102</TD><TD>0.6877</TD><TD>0.08</TD></TR>
<TR><TD>H17C</TD><TD>0.4103</TD><TD>0.3378</TD><TD>0.7576</TD><TD>0.08</TD></TR>
<TR><TD>H18A</TD><TD>0.2361</TD><TD>0.5234</TD><TD>0.7127</TD><TD>0.075</TD></TR>
<TR><TD>H18B</TD><TD>0.2030</TD><TD>0.5528</TD><TD>0.8038</TD><TD>0.075</TD></TR>
<TR><TD>H18C</TD><TD>0.2123</TD><TD>0.4372</TD><TD>0.7782</TD><TD>0.075</TD></TR>

    </tbody>
</table>





<!-- Hydrogen bond distances -->



</body>
</html>

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                       