1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
|
<?xml version="1.0" encoding="UTF-8" ?>
<!DOCTYPE CDXML SYSTEM "https://static.chemistry.revvitycloud.com/cdxml/CDXML.dtd" >
<CDXML
CreationProgram="ChemDraw 23.1.2.7"
Name="geometry-tetrahedral.cdxml"
BoundingBox="192.60 112.23 243.35 144.77"
WindowPosition="0 0"
WindowSize="-859045888 1288437760"
WindowIsZoomed="yes"
FractionalWidths="yes"
InterpretChemically="yes"
ShowAtomQuery="yes"
ShowAtomStereo="no"
ShowAtomEnhancedStereo="yes"
ShowAtomNumber="no"
ShowResidueID="no"
ShowBondQuery="yes"
ShowBondRxn="yes"
ShowBondStereo="no"
ShowTerminalCarbonLabels="no"
ShowNonTerminalCarbonLabels="no"
HideImplicitHydrogens="no"
LabelFont="3"
LabelSize="10"
LabelFace="96"
CaptionFont="20"
CaptionSize="12"
HashSpacing="2.70"
MarginWidth="2"
LineWidth="0.85"
BoldWidth="4"
BondLength="28.35"
BondSpacing="12"
ChainAngle="120"
LabelJustification="Auto"
CaptionJustification="Left"
AminoAcidTermini="HOH"
ShowSequenceTermini="yes"
ShowSequenceBonds="yes"
ShowSequenceUnlinkedBranches="no"
ResidueWrapCount="40"
ResidueBlockCount="10"
PrintMargins="36 36 36 36"
MacPrintInfo="000300000001000100000000000A000700000000000A0008036704B003C0000200000001000100000000000A0007000100000064000000010001010100FF0001270F000100010000000000000000000000000002001901900000000000400000000000000000000100000000000000000000000000000000"
ChemPropName=""
ChemPropFormula="Chemical Formula: "
ChemPropExactMass="Exact Mass: "
ChemPropMolWt="Molecular Weight: "
ChemPropMOverZ="m/z: "
ChemPropAnalysis="Elemental Analysis: "
ChemPropBoilingPt="Boiling Point: "
ChemPropMeltingPt="Melting Point: "
ChemPropCritTemp="Critical Temp: "
ChemPropCritPres="Critical Pres: "
ChemPropCritVol="Critical Vol: "
ChemPropGibbs="Gibbs Energy: "
ChemPropLogP="Log P: "
ChemPropMR="MR: "
ChemPropHenry="Henry's Law: "
ChemPropEForm="Heat of Form: "
ChemProptPSA="tPSA: "
ChemPropCLogP="CLogP: "
ChemPropCMR="CMR: "
ChemPropLogS="LogS: "
ChemPropPKa="pKa: "
ChemPropID=""
ChemPropFragmentLabel=""
color="0"
bgcolor="1"
RxnAutonumberStart="1"
RxnAutonumberConditions="no"
RxnAutonumberStyle="Roman"
RxnAutonumberFormat="(#)"
><colortable>
<color r="1" g="1" b="1"/>
<color r="0" g="0" b="0"/>
<color r="1" g="0" b="0"/>
<color r="1" g="1" b="0"/>
<color r="0" g="1" b="0"/>
<color r="0" g="1" b="1"/>
<color r="0" g="0" b="1"/>
<color r="1" g="0" b="1"/>
</colortable><fonttable>
<font id="3" charset="iso-8859-1" name="Arial"/>
<font id="20" charset="iso-8859-1" name="Times New Roman"/>
</fonttable><page
id="915"
BoundingBox="0 0 504 648"
HeaderPosition="36"
FooterPosition="36"
PrintTrimMarks="yes"
HeightPages="1"
WidthPages="1"
><group
id="787"
BoundingBox="192.60 112.23 243.35 144.77"
Z="12"
><fragment
id="788"
BoundingBox="192.60 112.23 243.35 144.77"
Z="13"
><n
id="1"
p="218.25 114.35"
Z="14"
Geometry="Tetrahedral"
AS="s"
BondOrdering="10 12 13 0"
HDot="yes"
AtomID="1"
/><n
id="3"
p="217.70 142.65"
Z="15"
Geometry="Tetrahedral"
AS="s"
BondOrdering="10 11 0 14"
HDot="yes"
AtomID="2"
/><n
id="5"
p="242.50 128.90"
Z="16"
AS="N"
AtomID="3"
/><n
id="7"
p="193.45 128.05"
Z="20"
AS="N"
AtomID="4"
/><b
id="10"
Z="17"
B="1"
E="3"
BS="N"
/><b
id="11"
Z="18"
B="3"
E="5"
BS="N"
/><b
id="12"
Z="19"
B="1"
E="5"
BS="N"
/><b
id="13"
Z="21"
B="1"
E="7"
BS="N"
/><b
id="14"
Z="22"
B="3"
E="7"
BS="N"
/></fragment></group></page></CDXML>
|
