#!/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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[ipJ /X}:{T*,t_C<v8lܺ^utҖ<iEAz!NWSZiH_yDta_Mﲁtm  쮋,JE"MO0Yv-t \wlZ+Egw<g۬mw%v=9}3E]D'm+[c=&?UyS`]$.(
O^	`]J0Q>Fur}}adAKصDwM#ҧ>ǂ۱pilE0AϏjM*'7u{wՅ{Ctŵ&[*桪#;<8'{^r--_ig'T*:v⮎-ZΞ#34H#<x+cjm*C	:.vۯĎU܅^r	J`؍C\紉/_>ӶvKV[xUXm/K|$*H$yxk:UJJ-[=l+lSE/̟Dh'jvxk"?;?ic@}]-%Zc\~Jw%+*WLCkKnD̨P@Z;_Q؟M/6eLq6Ү^wSnjM8.rh9kAn֥;HYD D                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    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H>dH>çkTO#9$?dǐh$'~Ï'j'@s'Ds'H'L'Pʳ'XgN*5Ug8!6U'l+'p=^	^epWo8pBX1 Vf'+'R	feN@+/7V~pZyᄵK/rᄺ*	v嵆'ĕ'ȕN+o0@Wh8D%ؕrk'蕷N+Q	|%7D}&τA	CoN,60Xn3@X>b8D&߄{NH,wNP,j8aD&0߄_Nx,_2 Yl8!m8A|pd	囆,˷'\h큐Yo8Apf@,3Yq	0 ZI	2 Zi	c8N('V%N+'jDHОaB{"VhO
Z=^a`C'V#'VN`оo8ᵚ`8B{#Vhojjjj$	ɆbYdf	'B$Vh
p[NNȭNЭNح^	+Zj8Zf8B% Whppe8aB%Wh
`\' W+ptLО	3B{&XWk'\WNNȮ.1]}+owpBwu
]]/N@h8!B{'Whj	5+'{Dx	?!B&W홰_=;'W'WN5B|"(_ 
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<!-- Bond lengths -->
<br>
<br>
<table width="50%">
    <tr><td><font size="+2"><b>
        Table 4. Bond lengths (&Aring;) for char423.
    </b></font></tr>
</table>
<table width="50%" frame=hsides rules=groups>
    <col align=left span=5>
    <TR><TD>Ni1-N2</TD><TD>2.098(6)</TD><TD>Ni1-N1</TD><TD>2.099(6)</TD></TR>
<TR><TD>Ni1-N3</TD><TD>2.116(6)</TD><TD>Ni1-N4</TD><TD>2.121(7)</TD></TR>
<TR><TD>Ni1-S1</TD><TD>2.289(3)</TD><TD>Ni2-N5</TD><TD>2.084(8)</TD></TR>
<TR><TD>Ni2-N8</TD><TD>2.099(7)</TD><TD>Ni2-N7</TD><TD>2.104(6)</TD></TR>
<TR><TD>Ni2-N6</TD><TD>2.114(7)</TD><TD>Ni2-S4</TD><TD>2.334(3)</TD></TR>
<TR><TD>P1-F6</TD><TD>1.526(8)</TD><TD>P1-F1</TD><TD>1.537(6)</TD></TR>
<TR><TD>P1-F3</TD><TD>1.544(8)</TD><TD>P1-F5</TD><TD>1.560(6)</TD></TR>
<TR><TD>P1-F4</TD><TD>1.581(6)</TD><TD>P1-F2</TD><TD>1.586(6)</TD></TR>
<TR><TD>P2-F9</TD><TD>1.438(10)</TD><TD>P2-F8</TD><TD>1.484(8)</TD></TR>
<TR><TD>P2-F11</TD><TD>1.516(7)</TD><TD>P2-F12</TD><TD>1.528(10)</TD></TR>
<TR><TD>P2-F7</TD><TD>1.532(7)</TD><TD>P2-F10</TD><TD>1.552(7)</TD></TR>
<TR><TD>S1-S2</TD><TD>2.053(3)</TD><TD>S2-S3</TD><TD>2.063(3)</TD></TR>
<TR><TD>S3-S4</TD><TD>2.051(4)</TD><TD>N1-C12</TD><TD>1.477(11)</TD></TR>
<TR><TD>N1-C1</TD><TD>1.480(11)</TD><TD>N1-C2</TD><TD>1.487(11)</TD></TR>
<TR><TD>N2-C5</TD><TD>1.478(10)</TD><TD>N2-C3</TD><TD>1.488(9)</TD></TR>
<TR><TD>N2-C4</TD><TD>1.499(10)</TD><TD>N3-C8</TD><TD>1.476(10)</TD></TR>
<TR><TD>N3-C7</TD><TD>1.479(9)</TD><TD>N3-C6</TD><TD>1.499(10)</TD></TR>
<TR><TD>N4-C10</TD><TD>1.468(11)</TD><TD>N4-C11</TD><TD>1.486(11)</TD></TR>
<TR><TD>N4-C9</TD><TD>1.503(10)</TD><TD>N5-C14</TD><TD>1.461(13)</TD></TR>
<TR><TD>N5-C13</TD><TD>1.471(12)</TD><TD>N5-C24</TD><TD>1.511(14)</TD></TR>
<TR><TD>N6-C17</TD><TD>1.465(11)</TD><TD>N6-C16</TD><TD>1.468(12)</TD></TR>
<TR><TD>N6-C15</TD><TD>1.497(12)</TD><TD>N7-C20</TD><TD>1.468(11)</TD></TR>
<TR><TD>N7-C19</TD><TD>1.475(11)</TD><TD>N7-C18</TD><TD>1.513(10)</TD></TR>
<TR><TD>N8-C23</TD><TD>1.477(13)</TD><TD>N8-C21</TD><TD>1.483(11)</TD></TR>
<TR><TD>N8-C22</TD><TD>1.494(11)</TD><TD>N9-C25</TD><TD>1.156(17)</TD></TR>
<TR><TD>C2-C3</TD><TD>1.522(12)</TD><TD>C5-C6</TD><TD>1.491(10)</TD></TR>
<TR><TD>C8-C9</TD><TD>1.490(12)</TD><TD>C11-C12</TD><TD>1.509(13)</TD></TR>
<TR><TD>C14-C15</TD><TD>1.443(15)</TD><TD>C17-C18</TD><TD>1.464(13)</TD></TR>
<TR><TD>C20-C21</TD><TD>1.472(13)</TD><TD>C23-C24</TD><TD>1.468(15)</TD></TR>
<TR><TD>C25-C26</TD><TD>1.421(19)</TD><TD></TD><TD></TD></TR>

</table>





<!-- Bond angles -->
<br>
<br>
<table width="60%">
    <tr><td><font size="+2"><b>
        Table 5. Bond angles (&deg;) for char423.
    </b></font></tr>
</table>
<table width="60%" frame=hsides rules=groups>
    <col align=left span=4>
    <TR><TD>N2-Ni1-N1</TD><TD>85.2(3)</TD><TD>N2-Ni1-N3</TD><TD>85.1(2)</TD></TR>
<TR><TD>N1-Ni1-N3</TD><TD>144.9(3)</TD><TD>N2-Ni1-N4</TD><TD>144.9(3)</TD></TR>
<TR><TD>N1-Ni1-N4</TD><TD>84.8(3)</TD><TD>N3-Ni1-N4</TD><TD>83.9(3)</TD></TR>
<TR><TD>N2-Ni1-S1</TD><TD>98.6(2)</TD><TD>N1-Ni1-S1</TD><TD>109.5(2)</TD></TR>
<TR><TD>N3-Ni1-S1</TD><TD>105.4(2)</TD><TD>N4-Ni1-S1</TD><TD>116.5(2)</TD></TR>
<TR><TD>N5-Ni2-N8</TD><TD>85.3(3)</TD><TD>N5-Ni2-N7</TD><TD>146.3(3)</TD></TR>
<TR><TD>N8-Ni2-N7</TD><TD>85.8(3)</TD><TD>N5-Ni2-N6</TD><TD>84.9(3)</TD></TR>
<TR><TD>N8-Ni2-N6</TD><TD>145.6(3)</TD><TD>N7-Ni2-N6</TD><TD>84.4(3)</TD></TR>
<TR><TD>N5-Ni2-S4</TD><TD>105.3(2)</TD><TD>N8-Ni2-S4</TD><TD>99.2(2)</TD></TR>
<TR><TD>N7-Ni2-S4</TD><TD>108.2(2)</TD><TD>N6-Ni2-S4</TD><TD>115.2(2)</TD></TR>
<TR><TD>F6-P1-F1</TD><TD>89.8(6)</TD><TD>F6-P1-F3</TD><TD>175.9(7)</TD></TR>
<TR><TD>F1-P1-F3</TD><TD>94.1(6)</TD><TD>F6-P1-F5</TD><TD>92.2(6)</TD></TR>
<TR><TD>F1-P1-F5</TD><TD>94.7(4)</TD><TD>F3-P1-F5</TD><TD>88.8(5)</TD></TR>
<TR><TD>F6-P1-F4</TD><TD>88.2(5)</TD><TD>F1-P1-F4</TD><TD>177.9(6)</TD></TR>
<TR><TD>F3-P1-F4</TD><TD>87.9(5)</TD><TD>F5-P1-F4</TD><TD>86.2(4)</TD></TR>
<TR><TD>F6-P1-F2</TD><TD>88.6(6)</TD><TD>F1-P1-F2</TD><TD>86.4(4)</TD></TR>
<TR><TD>F3-P1-F2</TD><TD>90.3(5)</TD><TD>F5-P1-F2</TD><TD>178.7(4)</TD></TR>
<TR><TD>F4-P1-F2</TD><TD>92.8(4)</TD><TD>F9-P2-F8</TD><TD>95.7(10)</TD></TR>
<TR><TD>F9-P2-F11</TD><TD>88.1(9)</TD><TD>F8-P2-F11</TD><TD>175.9(10)</TD></TR>
<TR><TD>F9-P2-F12</TD><TD>176.4(10)</TD><TD>F8-P2-F12</TD><TD>87.1(9)</TD></TR>
<TR><TD>F11-P2-F12</TD><TD>89.1(8)</TD><TD>F9-P2-F7</TD><TD>95.4(8)</TD></TR>
<TR><TD>F8-P2-F7</TD><TD>90.0(6)</TD><TD>F11-P2-F7</TD><TD>90.9(5)</TD></TR>
<TR><TD>F12-P2-F7</TD><TD>82.4(7)</TD><TD>F9-P2-F10</TD><TD>85.4(7)</TD></TR>
<TR><TD>F8-P2-F10</TD><TD>89.7(5)</TD><TD>F11-P2-F10</TD><TD>89.3(5)</TD></TR>
<TR><TD>F12-P2-F10</TD><TD>96.8(7)</TD><TD>F7-P2-F10</TD><TD>179.2(6)</TD></TR>
<TR><TD>S2-S1-Ni1</TD><TD>111.60(12)</TD><TD>S1-S2-S3</TD><TD>109.74(13)</TD></TR>
<TR><TD>S4-S3-S2</TD><TD>109.85(14)</TD><TD>S3-S4-Ni2</TD><TD>113.11(12)</TD></TR>
<TR><TD>C12-N1-C1</TD><TD>108.8(7)</TD><TD>C12-N1-C2</TD><TD>110.4(8)</TD></TR>
<TR><TD>C1-N1-C2</TD><TD>112.0(7)</TD><TD>C12-N1-Ni1</TD><TD>107.4(5)</TD></TR>
<TR><TD>C1-N1-Ni1</TD><TD>116.3(5)</TD><TD>C2-N1-Ni1</TD><TD>101.6(5)</TD></TR>
<TR><TD>C5-N2-C3</TD><TD>110.7(6)</TD><TD>C5-N2-C4</TD><TD>109.7(6)</TD></TR>
<TR><TD>C3-N2-C4</TD><TD>108.6(6)</TD><TD>C5-N2-Ni1</TD><TD>102.0(4)</TD></TR>
<TR><TD>C3-N2-Ni1</TD><TD>107.9(5)</TD><TD>C4-N2-Ni1</TD><TD>117.8(5)</TD></TR>
<TR><TD>C8-N3-C7</TD><TD>110.5(6)</TD><TD>C8-N3-C6</TD><TD>110.8(7)</TD></TR>
<TR><TD>C7-N3-C6</TD><TD>111.7(6)</TD><TD>C8-N3-Ni1</TD><TD>101.7(5)</TD></TR>
<TR><TD>C7-N3-Ni1</TD><TD>115.2(5)</TD><TD>C6-N3-Ni1</TD><TD>106.5(4)</TD></TR>
<TR><TD>C10-N4-C11</TD><TD>112.1(7)</TD><TD>C10-N4-C9</TD><TD>108.1(7)</TD></TR>
<TR><TD>C11-N4-C9</TD><TD>109.9(7)</TD><TD>C10-N4-Ni1</TD><TD>119.3(6)</TD></TR>
<TR><TD>C11-N4-Ni1</TD><TD>99.9(5)</TD><TD>C9-N4-Ni1</TD><TD>107.2(5)</TD></TR>
<TR><TD>C14-N5-C13</TD><TD>110.1(9)</TD><TD>C14-N5-C24</TD><TD>110.7(10)</TD></TR>
<TR><TD>C13-N5-C24</TD><TD>108.4(9)</TD><TD>C14-N5-Ni2</TD><TD>102.8(6)</TD></TR>
<TR><TD>C13-N5-Ni2</TD><TD>117.7(8)</TD><TD>C24-N5-Ni2</TD><TD>107.0(6)</TD></TR>
<TR><TD>C17-N6-C16</TD><TD>111.3(8)</TD><TD>C17-N6-C15</TD><TD>111.5(8)</TD></TR>
<TR><TD>C16-N6-C15</TD><TD>108.6(8)</TD><TD>C17-N6-Ni2</TD><TD>102.0(5)</TD></TR>
<TR><TD>C16-N6-Ni2</TD><TD>117.8(6)</TD><TD>C15-N6-Ni2</TD><TD>105.4(6)</TD></TR>
<TR><TD>C20-N7-C19</TD><TD>111.7(7)</TD><TD>C20-N7-C18</TD><TD>111.2(7)</TD></TR>
<TR><TD>C19-N7-C18</TD><TD>109.1(8)</TD><TD>C20-N7-Ni2</TD><TD>101.3(5)</TD></TR>
<TR><TD>C19-N7-Ni2</TD><TD>116.6(5)</TD><TD>C18-N7-Ni2</TD><TD>106.7(5)</TD></TR>
<TR><TD>C23-N8-C21</TD><TD>112.7(8)</TD><TD>C23-N8-C22</TD><TD>111.5(8)</TD></TR>
<TR><TD>C21-N8-C22</TD><TD>107.3(7)</TD><TD>C23-N8-Ni2</TD><TD>101.9(6)</TD></TR>
<TR><TD>C21-N8-Ni2</TD><TD>105.7(5)</TD><TD>C22-N8-Ni2</TD><TD>117.7(6)</TD></TR>
<TR><TD>N1-C2-C3</TD><TD>110.7(7)</TD><TD>N2-C3-C2</TD><TD>110.0(6)</TD></TR>
<TR><TD>N2-C5-C6</TD><TD>111.3(7)</TD><TD>C5-C6-N3</TD><TD>110.6(6)</TD></TR>
<TR><TD>N3-C8-C9</TD><TD>110.4(8)</TD><TD>C8-C9-N4</TD><TD>110.2(6)</TD></TR>
<TR><TD>N4-C11-C12</TD><TD>110.1(8)</TD><TD>N1-C12-C11</TD><TD>109.7(7)</TD></TR>
<TR><TD>C15-C14-N5</TD><TD>112.1(10)</TD><TD>C14-C15-N6</TD><TD>113.1(8)</TD></TR>
<TR><TD>C18-C17-N6</TD><TD>111.7(8)</TD><TD>C17-C18-N7</TD><TD>111.8(7)</TD></TR>
<TR><TD>N7-C20-C21</TD><TD>112.2(7)</TD><TD>C20-C21-N8</TD><TD>112.7(7)</TD></TR>
<TR><TD>C24-C23-N8</TD><TD>112.2(9)</TD><TD>C23-C24-N5</TD><TD>111.5(9)</TD></TR>
<TR><TD>N9-C25-C26</TD><TD>178.3(16)</TD><TD></TD><TD></TD></TR>

</table>





<!-- Torsion angles -->





<!-- Anisotropic displacement parameters -->
<br>
    <br>
    <table width="70%">
    <tr><td><font size="+2"><b>
        Table 6. Anisotropic atomic displacement parameters (&Aring;<sup>2</sup>)
        for char423.
    </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>Ni1</TD><TD>0.0694(8)</TD><TD>0.0479(7)</TD><TD>0.0528(7)</TD><TD>-0.0010(5)</TD><TD>0.0234(6)</TD><TD>0.0042(5)</TD></TR>
<TR><TD>Ni2</TD><TD>0.0784(9)</TD><TD>0.0514(7)</TD><TD>0.0526(7)</TD><TD>0.0065(5)</TD><TD>0.0266(6)</TD><TD>0.0096(6)</TD></TR>
<TR><TD>P1</TD><TD>0.0776(14)</TD><TD>0.0676(13)</TD><TD>0.0633(12)</TD><TD>0.0063(9)</TD><TD>0.0208(10)</TD><TD>0.0061(10)</TD></TR>
<TR><TD>P2</TD><TD>0.1014(18)</TD><TD>0.0524(12)</TD><TD>0.0738(13)</TD><TD>0.0020(9)</TD><TD>0.0226(12)</TD><TD>0.0107(11)</TD></TR>
<TR><TD>S1</TD><TD>0.0869(15)</TD><TD>0.0613(12)</TD><TD>0.0546(10)</TD><TD>0.0028(8)</TD><TD>0.0088(9)</TD><TD>-0.0005(10)</TD></TR>
<TR><TD>S2</TD><TD>0.0711(13)</TD><TD>0.0828(15)</TD><TD>0.0691(12)</TD><TD>0.0033(10)</TD><TD>0.0210(10)</TD><TD>0.0153(11)</TD></TR>
<TR><TD>S3</TD><TD>0.0773(14)</TD><TD>0.0958(16)</TD><TD>0.0635(12)</TD><TD>0.0145(10)</TD><TD>0.0209(10)</TD><TD>-0.0035(12)</TD></TR>
<TR><TD>S4</TD><TD>0.1107(19)</TD><TD>0.0635(13)</TD><TD>0.0652(12)</TD><TD>0.0049(9)</TD><TD>0.0135(12)</TD><TD>0.0138(11)</TD></TR>
<TR><TD>F1</TD><TD>0.197(8)</TD><TD>0.193(7)</TD><TD>0.163(6)</TD><TD>0.118(6)</TD><TD>0.123(5)</TD><TD>0.097(6)</TD></TR>
<TR><TD>F2</TD><TD>0.100(4)</TD><TD>0.144(5)</TD><TD>0.111(5)</TD><TD>0.028(4)</TD><TD>0.043(3)</TD><TD>0.048(4)</TD></TR>
<TR><TD>F3</TD><TD>0.140(6)</TD><TD>0.087(5)</TD><TD>0.262(9)</TD><TD>-0.027(5)</TD><TD>-0.078(6)</TD><TD>0.001(4)</TD></TR>
<TR><TD>F4</TD><TD>0.105(5)</TD><TD>0.153(6)</TD><TD>0.139(5)</TD><TD>0.084(5)</TD><TD>0.023(4)</TD><TD>0.001(4)</TD></TR>
<TR><TD>F5</TD><TD>0.197(7)</TD><TD>0.170(6)</TD><TD>0.104(5)</TD><TD>0.039(4)</TD><TD>0.073(5)</TD><TD>0.116(6)</TD></TR>
<TR><TD>F6</TD><TD>0.301(10)</TD><TD>0.099(5)</TD><TD>0.222(9)</TD><TD>-0.031(5)</TD><TD>-0.165(8)</TD><TD>0.029(5)</TD></TR>
<TR><TD>F7</TD><TD>0.314(11)</TD><TD>0.074(4)</TD><TD>0.178(8)</TD><TD>0.009(4)</TD><TD>0.074(8)</TD><TD>-0.045(5)</TD></TR>
<TR><TD>F8</TD><TD>0.66(2)</TD><TD>0.119(6)</TD><TD>0.084(4)</TD><TD>0.006(4)</TD><TD>0.085(8)</TD><TD>0.074(11)</TD></TR>
<TR><TD>F9</TD><TD>0.101(5)</TD><TD>0.303(13)</TD><TD>0.484(17)</TD><TD>0.057(15)</TD><TD>-0.044(9)</TD><TD>0.047(6)</TD></TR>
<TR><TD>F10</TD><TD>0.298(10)</TD><TD>0.070(4)</TD><TD>0.143(6)</TD><TD>0.011(4)</TD><TD>0.068(7)</TD><TD>-0.019(5)</TD></TR>
<TR><TD>F11</TD><TD>0.471(16)</TD><TD>0.103(5)</TD><TD>0.092(4)</TD><TD>0.003(4)</TD><TD>0.075(7)</TD><TD>0.073(8)</TD></TR>
<TR><TD>F12</TD><TD>0.124(6)</TD><TD>0.237(11)</TD><TD>0.417(15)</TD><TD>0.032(12)</TD><TD>0.029(8)</TD><TD>0.067(6)</TD></TR>
<TR><TD>N1</TD><TD>0.077(4)</TD><TD>0.059(3)</TD><TD>0.072(4)</TD><TD>-0.012(3)</TD><TD>0.024(3)</TD><TD>0.007(3)</TD></TR>
<TR><TD>N2</TD><TD>0.067(4)</TD><TD>0.061(3)</TD><TD>0.052(3)</TD><TD>0.000(2)</TD><TD>0.017(3)</TD><TD>0.003(3)</TD></TR>
<TR><TD>N3</TD><TD>0.073(4)</TD><TD>0.059(3)</TD><TD>0.060(3)</TD><TD>-0.004(3)</TD><TD>0.024(3)</TD><TD>0.002(3)</TD></TR>
<TR><TD>N4</TD><TD>0.074(4)</TD><TD>0.058(4)</TD><TD>0.071(4)</TD><TD>0.004(3)</TD><TD>0.022(3)</TD><TD>0.001(3)</TD></TR>
<TR><TD>N5</TD><TD>0.095(5)</TD><TD>0.076(4)</TD><TD>0.091(5)</TD><TD>0.013(3)</TD><TD>0.033(4)</TD><TD>-0.001(4)</TD></TR>
<TR><TD>N6</TD><TD>0.093(5)</TD><TD>0.067(4)</TD><TD>0.068(4)</TD><TD>0.004(3)</TD><TD>0.032(3)</TD><TD>0.016(3)</TD></TR>
<TR><TD>N7</TD><TD>0.078(4)</TD><TD>0.067(4)</TD><TD>0.060(3)</TD><TD>0.013(3)</TD><TD>0.024(3)</TD><TD>0.009(3)</TD></TR>
<TR><TD>N8</TD><TD>0.090(5)</TD><TD>0.070(4)</TD><TD>0.066(4)</TD><TD>-0.008(3)</TD><TD>0.015(3)</TD><TD>0.011(3)</TD></TR>
<TR><TD>N9</TD><TD>0.106(8)</TD><TD>0.135(10)</TD><TD>0.166(10)</TD><TD>0.001(9)</TD><TD>0.022(9)</TD><TD>-0.001(7)</TD></TR>
<TR><TD>C1</TD><TD>0.079(5)</TD><TD>0.092(7)</TD><TD>0.080(6)</TD><TD>-0.012(5)</TD><TD>0.021(4)</TD><TD>0.028(4)</TD></TR>
<TR><TD>C2</TD><TD>0.090(6)</TD><TD>0.076(5)</TD><TD>0.067(4)</TD><TD>-0.024(4)</TD><TD>0.013(4)</TD><TD>0.014(4)</TD></TR>
<TR><TD>C3</TD><TD>0.078(6)</TD><TD>0.086(5)</TD><TD>0.052(4)</TD><TD>-0.009(3)</TD><TD>0.016(4)</TD><TD>0.008(4)</TD></TR>
<TR><TD>C4</TD><TD>0.080(5)</TD><TD>0.069(5)</TD><TD>0.062(4)</TD><TD>0.012(3)</TD><TD>0.017(4)</TD><TD>-0.013(4)</TD></TR>
<TR><TD>C5</TD><TD>0.067(4)</TD><TD>0.069(5)</TD><TD>0.062(4)</TD><TD>0.007(3)</TD><TD>0.015(3)</TD><TD>0.006(4)</TD></TR>
<TR><TD>C6</TD><TD>0.073(5)</TD><TD>0.061(5)</TD><TD>0.067(4)</TD><TD>0.002(3)</TD><TD>0.012(4)</TD><TD>0.010(4)</TD></TR>
<TR><TD>C7</TD><TD>0.094(6)</TD><TD>0.070(5)</TD><TD>0.066(4)</TD><TD>-0.010(4)</TD><TD>0.029(4)</TD><TD>0.014(4)</TD></TR>
<TR><TD>C8</TD><TD>0.069(5)</TD><TD>0.068(5)</TD><TD>0.081(5)</TD><TD>0.004(3)</TD><TD>0.034(4)</TD><TD>0.006(3)</TD></TR>
<TR><TD>C9</TD><TD>0.069(5)</TD><TD>0.073(5)</TD><TD>0.080(5)</TD><TD>0.008(4)</TD><TD>0.029(4)</TD><TD>-0.002(4)</TD></TR>
<TR><TD>C10</TD><TD>0.085(6)</TD><TD>0.079(6)</TD><TD>0.089(5)</TD><TD>0.030(4)</TD><TD>0.024(5)</TD><TD>0.005(5)</TD></TR>
<TR><TD>C11</TD><TD>0.096(7)</TD><TD>0.062(5)</TD><TD>0.104(6)</TD><TD>-0.012(4)</TD><TD>0.027(5)</TD><TD>-0.012(4)</TD></TR>
<TR><TD>C12</TD><TD>0.110(7)</TD><TD>0.053(4)</TD><TD>0.106(7)</TD><TD>-0.018(4)</TD><TD>0.035(6)</TD><TD>0.000(4)</TD></TR>
<TR><TD>C13</TD><TD>0.139(11)</TD><TD>0.135(11)</TD><TD>0.128(8)</TD><TD>0.064(7)</TD><TD>0.062(8)</TD><TD>0.002(8)</TD></TR>
<TR><TD>C14</TD><TD>0.074(6)</TD><TD>0.097(7)</TD><TD>0.136(10)</TD><TD>0.014(5)</TD><TD>0.033(6)</TD><TD>0.000(4)</TD></TR>
<TR><TD>C15</TD><TD>0.086(6)</TD><TD>0.095(7)</TD><TD>0.121(8)</TD><TD>0.005(5)</TD><TD>0.048(6)</TD><TD>0.018(5)</TD></TR>
<TR><TD>C16</TD><TD>0.118(7)</TD><TD>0.083(6)</TD><TD>0.078(5)</TD><TD>-0.014(4)</TD><TD>0.023(5)</TD><TD>0.027(5)</TD></TR>
<TR><TD>C17</TD><TD>0.109(7)</TD><TD>0.062(5)</TD><TD>0.093(6)</TD><TD>0.013(4)</TD><TD>0.030(5)</TD><TD>0.023(5)</TD></TR>
<TR><TD>C18</TD><TD>0.105(6)</TD><TD>0.055(5)</TD><TD>0.096(6)</TD><TD>0.018(4)</TD><TD>0.029(5)</TD><TD>0.008(4)</TD></TR>
<TR><TD>C19</TD><TD>0.076(5)</TD><TD>0.099(7)</TD><TD>0.090(6)</TD><TD>0.009(5)</TD><TD>0.027(4)</TD><TD>-0.013(5)</TD></TR>
<TR><TD>C20</TD><TD>0.108(7)</TD><TD>0.087(5)</TD><TD>0.055(4)</TD><TD>0.014(4)</TD><TD>0.024(4)</TD><TD>-0.005(5)</TD></TR>
<TR><TD>C21</TD><TD>0.131(8)</TD><TD>0.093(5)</TD><TD>0.056(4)</TD><TD>0.005(4)</TD><TD>0.031(5)</TD><TD>0.024(5)</TD></TR>
<TR><TD>C22</TD><TD>0.115(7)</TD><TD>0.070(5)</TD><TD>0.077(6)</TD><TD>-0.015(4)</TD><TD>0.015(5)</TD><TD>0.019(5)</TD></TR>
<TR><TD>C23</TD><TD>0.096(6)</TD><TD>0.110(8)</TD><TD>0.096(6)</TD><TD>-0.032(6)</TD><TD>0.006(5)</TD><TD>0.001(5)</TD></TR>
<TR><TD>C24</TD><TD>0.110(8)</TD><TD>0.085(7)</TD><TD>0.132(8)</TD><TD>-0.002(6)</TD><TD>0.016(6)</TD><TD>-0.024(6)</TD></TR>
<TR><TD>C25</TD><TD>0.075(7)</TD><TD>0.088(8)</TD><TD>0.164(10)</TD><TD>-0.005(9)</TD><TD>0.016(9)</TD><TD>0.001(6)</TD></TR>
<TR><TD>C26</TD><TD>0.136(12)</TD><TD>0.095(9)</TD><TD>0.166(10)</TD><TD>0.008(9)</TD><TD>0.028(10)</TD><TD>0.013(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 7. Hydrogen atomic coordinates and isotropic atomic displacement
        parameters (&Aring;<sup>2</sup>) for char423.
    </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>0.8109</TD><TD>0.3226</TD><TD>1.0843</TD><TD>0.124</TD></TR>
<TR><TD>H1B</TD><TD>0.7880</TD><TD>0.2318</TD><TD>1.0770</TD><TD>0.124</TD></TR>
<TR><TD>H1C</TD><TD>0.8011</TD><TD>0.2880</TD><TD>1.0381</TD><TD>0.124</TD></TR>
<TR><TD>H2A</TD><TD>1.0324</TD><TD>0.2788</TD><TD>1.1348</TD><TD>0.092</TD></TR>
<TR><TD>H2B</TD><TD>1.1998</TD><TD>0.2528</TD><TD>1.1179</TD><TD>0.092</TD></TR>
<TR><TD>H3A</TD><TD>1.0946</TD><TD>0.1453</TD><TD>1.1499</TD><TD>0.086</TD></TR>
<TR><TD>H3B</TD><TD>0.9222</TD><TD>0.1556</TD><TD>1.1234</TD><TD>0.086</TD></TR>
<TR><TD>H4A</TD><TD>1.0112</TD><TD>0.0098</TD><TD>1.1108</TD><TD>0.105</TD></TR>
<TR><TD>H4B</TD><