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lite3.htm
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lite3.htm
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<!DOCTYPE html>
<html>
<title>Super-Lightweight Jmol Testing</title>
<head>
<meta charset="utf-8">
<script type="text/javascript" src="jquery/jquery.min.js"></script>
<script type="text/javascript" src="JSmol.lite.nojq.js"></script>
<!--
see lite.htm for other options
-->
<!-- MOL DATA
681
-OEChem-03251317163D
22 22 0 0 0 0 0 0 0999 V2000
-2.2392 1.9626 0.0548 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3557 -0.5612 0.3868 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4081 0.2624 0.3445 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1628 -0.0212 -0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7040 -0.1603 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9862 0.1008 0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0999 0.9759 -0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1434 -1.4267 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4642 0.8456 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 -1.5570 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0247 -0.4208 0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5111 -0.8817 -1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3332 0.8564 -1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8490 -0.7888 1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6457 0.9593 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3315 1.9659 -0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7594 -2.3195 -0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6445 -2.5496 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5468 1.0868 -0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7362 -0.5285 -0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1541 1.6866 0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5639 -1.5074 0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 21 1 0 0 0 0
2 11 1 0 0 0 0
2 22 1 0 0 0 0
3 6 1 0 0 0 0
3 19 1 0 0 0 0
3 20 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
5 7 2 0 0 0 0
5 8 1 0 0 0 0
6 14 1 0 0 0 0
6 15 1 0 0 0 0
7 9 1 0 0 0 0
7 16 1 0 0 0 0
8 10 2 0 0 0 0
8 17 1 0 0 0 0
9 11 2 0 0 0 0
10 11 1 0 0 0 0
10 18 1 0 0 0 0
M END
> <PUBCHEM_COMPOUND_CID>
681
> <PUBCHEM_CONFORMER_RMSD>
0.4
> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
10
11
6
2
9
4
8
12
7
5
3
> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
18
1 -0.53
10 -0.15
11 0.08
16 0.15
17 0.15
18 0.15
19 0.36
2 -0.53
20 0.36
21 0.45
22 0.45
3 -0.99
4 0.14
5 -0.14
6 0.27
7 -0.15
8 -0.15
9 0.08
> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2
> <PUBCHEM_PHARMACOPHORE_FEATURES>
5
1 1 donor
1 2 donor
1 3 cation
1 3 donor
6 5 7 8 9 10 11 rings
> <PUBCHEM_HEAVY_ATOM_COUNT>
11
> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0
> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0
> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0
> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0
> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0
> <PUBCHEM_COMPONENT_COUNT>
1
> <PUBCHEM_CACTVS_TAUTO_COUNT>
18
> <PUBCHEM_CONFORMER_ID>
000002A900000001
> <PUBCHEM_MMFF94_ENERGY>
18.63
> <PUBCHEM_FEATURE_SELFOVERLAP>
25.376
> <PUBCHEM_SHAPE_FINGERPRINT>
10857977 72 18411698815616744384
12251169 10 18336262431474704496
12932764 1 17632570557228583102
13024252 1 13406787813918322623
14325111 11 18411418367538085596
15219456 202 18059298656393979366
15310529 11 14620526583701806095
16945 1 18337965561795389591
17846911 113 18342737420610839217
20510252 161 18343586217817938648
20645464 45 18060422412943193102
20871998 184 18200316644330923263
21040471 1 18265343815144450351
22445834 79 17895183390516357346
23402539 116 18341321275794639815
23402655 69 18267570318598203973
2748010 2 18193570960474824879
369184 2 18201997733353704774
53812653 166 18271524200074478465
6333449 129 18341609295963879597
75552 356 18408602586868045176
> <PUBCHEM_SHAPE_MULTIPOLES>
209.66
5.32
1.51
0.72
4.61
0.13
-0.02
0.59
1.19
-1.1
-0.03
0.22
-0.01
0.11
> <PUBCHEM_SHAPE_SELFOVERLAP>
430.729
> <PUBCHEM_SHAPE_VOLUME>
121.4
> <PUBCHEM_COORDINATE_TYPE>
2
5
10
$$$$
-->
<script type="text/javascript">
var Info;
;(function() {
Info = {
width: 500,
height: 500,
debug: false,
color: "0xC0C0C0",
addSelectionOptions: false,
serverURL: "http://chemapps.stolaf.edu/jmol/jsmol/php/jsmol.php",
use: "HTML5",
readyFunction: null,
defaultModel: "",
bondWidth: 4,
zoomScaling: 1.5,
pinchScaling: 2.0,
mouseDragFactor: 0.5,
touchDragFactor: 0.15,
multipleBondSpacing: 4,
spinRateX: 0.2,
spinRateY: 0.5,
spinFPS: 20,
spin:true,
debug: false
}
})();
$(window).ready(function() {
Jmol._document = null;
Jmol.getTMApplet("jmol", Info);
$("#apphere").html(jmol._code);
var mol = $('html').html().split("MOL DATA\n")[1].split("-->")[0];
jmol.__loadModel(mol);
$("#spinstuff").html('<a href="javascript:jmol.spin(true)">spin ON</a> <a href="javascript:jmol.spin(false)">spin OFF</a>');
});
</script>
</head>
<body>
<div id="spinstuff"></div>
<br>
<div id="apphere"></div>
</body>
</html>