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
|
ACCLDraw03052509552D
0 0 0 0 0 999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 9 9 0 0 1
M V30 BEGIN ATOM
M V30 1 S 15.9078 -7.0163 0 0 CFG=2
M V30 2 C 15.3149 -5.994 0 0
M V30 3 O 15.319 -8.0401 0 0
M V30 4 C 17.0876 -7.0147 0 0
M V30 5 C 18.8552 -5.9903 0 0
M V30 6 C 17.6773 -5.9908 0 0
M V30 7 C 19.4475 -7.013 0 0
M V30 8 C 18.863 -8.033 0 0
M V30 9 C 17.6823 -8.0414 0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2 CFG=1
M V30 2 2 1 3
M V30 3 1 1 4
M V30 4 1 5 6
M V30 5 2 6 4
M V30 6 2 5 7
M V30 7 1 7 8
M V30 8 2 8 9
M V30 9 1 4 9
M V30 END BOND
M V30 BEGIN COLLECTION
M V30 MDLV30/STEABS ATOMS=(1 1)
M V30 END COLLECTION
M V30 END CTAB
M END
> <StereoGroupOnAtom>
0
$$$$
ACCLDraw03052509542D
0 0 0 0 0 999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 9 9 0 0 0
M V30 BEGIN ATOM
M V30 1 C 15.3149 -5.994 0 0
M V30 2 S 15.9078 -7.0163 0 0 CFG=2
M V30 3 O 15.319 -8.0401 0 0
M V30 4 C 17.0876 -7.0147 0 0
M V30 5 C 18.8552 -5.9903 0 0
M V30 6 C 17.6773 -5.9908 0 0
M V30 7 C 19.4475 -7.013 0 0
M V30 8 C 18.863 -8.033 0 0
M V30 9 C 17.6823 -8.0414 0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 2 1 CFG=1
M V30 2 2 2 3
M V30 3 1 4 2
M V30 4 1 5 6
M V30 5 2 6 4
M V30 6 2 7 5
M V30 7 1 8 7
M V30 8 2 9 8
M V30 9 1 4 9
M V30 END BOND
M V30 BEGIN COLLECTION
M V30 MDLV30/STERAC1 ATOMS=(1 2)
M V30 END COLLECTION
M V30 END CTAB
M END
> <StereoGroupOnAtom>
1
$$$$
ACCLDraw03052510142D
0 0 0 0 0 999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 10 10 0 0 1
M V30 BEGIN ATOM
M V30 1 C 15.2801 -6.3814 0 0
M V30 2 C 14.0994 -6.3853 0 0
M V30 3 C 13.5125 -7.4099 0 0
M V30 4 C 14.1063 -8.4305 0 0
M V30 5 C 15.287 -8.4265 0 0
M V30 6 C 15.8741 -7.4019 0 0
M V30 7 C 17.0554 -7.4003 0 0
M V30 8 S 17.6481 -8.4223 0 0 CFG=2
M V30 9 O 17.0595 -9.4458 0 0
M V30 10 C 18.8275 -8.4207 0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 2 1
M V30 2 1 3 2
M V30 3 2 4 3
M V30 4 1 5 4
M V30 5 1 1 6
M V30 6 2 6 5
M V30 7 1 7 6
M V30 8 1 8 7 CFG=1
M V30 9 2 8 9
M V30 10 1 10 8
M V30 END BOND
M V30 BEGIN COLLECTION
M V30 MDLV30/STEABS ATOMS=(1 8)
M V30 END COLLECTION
M V30 END CTAB
M END
> <StereoGroupOnAtom>
7
$$$$
ACCLDraw03052510142D
0 0 0 0 0 999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 10 10 0 0 0
M V30 BEGIN ATOM
M V30 1 C 15.2801 -6.3814 0 0
M V30 2 C 14.0994 -6.3853 0 0
M V30 3 C 13.5125 -7.4099 0 0
M V30 4 C 14.1063 -8.4305 0 0
M V30 5 C 15.287 -8.4265 0 0
M V30 6 C 15.8741 -7.4019 0 0
M V30 7 C 17.0554 -7.4003 0 0
M V30 8 S 17.6481 -8.4223 0 0 CFG=2
M V30 9 O 17.0595 -9.4458 0 0
M V30 10 C 18.8275 -8.4207 0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 2 1
M V30 2 1 3 2
M V30 3 2 4 3
M V30 4 1 5 4
M V30 5 1 1 6
M V30 6 2 6 5
M V30 7 1 7 6
M V30 8 1 8 7 CFG=1
M V30 9 2 8 9
M V30 10 1 10 8
M V30 END BOND
M V30 BEGIN COLLECTION
M V30 MDLV30/STERAC1 ATOMS=(1 8)
M V30 END COLLECTION
M V30 END CTAB
M END
> <StereoGroupOnAtom>
7
$$$$
|
