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
|
OpenBabel09140922242D
52 60 0 0 0 0 0 0 0 0999 V2000
-3.8000 -2.1500 0.0000 C 0 0 0 0 0
-3.8000 -1.1500 0.0000 C 0 0 0 0 0
-4.6673 -0.6523 0.0000 C 0 0 0 0 0
-2.9342 -0.6495 0.0000 C 0 0 0 0 0
-2.9340 -2.6500 0.0000 C 0 0 0 0 0
-2.9340 -3.6500 0.0000 C 0 0 0 0 0
-3.8000 -4.1500 0.0000 C 0 0 0 0 0
-4.6660 -3.6500 0.0000 C 0 0 0 0 0
-4.6660 -2.6500 0.0000 C 0 0 0 0 0
-2.9340 -4.6500 0.0000 C 0 0 0 0 0
-2.9340 -5.6500 0.0000 C 0 0 0 0 0
-3.8000 -6.1500 0.0000 C 0 0 0 0 0
-4.6660 -5.6500 0.0000 C 0 0 0 0 0
-4.6660 -4.6500 0.0000 C 0 0 0 0 0
-2.9340 -6.6500 0.0000 C 0 0 0 0 0
-2.9340 -7.6500 0.0000 C 0 0 0 0 0
-3.8000 -8.1500 0.0000 C 0 0 0 0 0
-4.6660 -7.6500 0.0000 C 0 0 0 0 0
-4.6660 -6.6500 0.0000 C 0 0 0 0 0
-5.5320 -1.1546 0.0000 C 0 0 0 0 0
-6.3994 -0.6569 0.0000 C 0 0 0 0 0
-6.4020 0.3431 0.0000 C 0 0 0 0 0
-5.5374 0.8454 0.0000 C 0 0 0 0 0
-4.6700 0.3477 0.0000 C 0 0 0 0 0
-7.2667 -0.1592 0.0000 C 0 0 0 0 0
-8.1341 0.3385 0.0000 C 0 0 0 0 0
-8.1367 1.3385 0.0000 C 0 0 0 0 0
-7.2721 1.8408 0.0000 C 0 0 0 0 0
-6.4047 1.3431 0.0000 C 0 0 0 0 0
-9.0014 0.8362 0.0000 C 0 0 0 0 0
-9.8688 1.3339 0.0000 C 0 0 0 0 0
-9.8714 2.3339 0.0000 C 0 0 0 0 0
-9.0068 2.8362 0.0000 C 0 0 0 0 0
-8.1394 2.3385 0.0000 C 0 0 0 0 0
-2.9348 0.3505 0.0000 C 0 0 0 0 0
-2.0690 0.8509 0.0000 C 0 0 0 0 0
-1.2027 0.3514 0.0000 C 0 0 0 0 0
-1.2022 -0.6486 0.0000 C 0 0 0 0 0
-2.0679 -1.1491 0.0000 C 0 0 0 0 0
-1.2033 1.3514 0.0000 C 0 0 0 0 0
-0.3375 1.8518 0.0000 C 0 0 0 0 0
0.5288 1.3523 0.0000 C 0 0 0 0 0
0.5293 0.3523 0.0000 C 0 0 0 0 0
-0.3364 -0.1482 0.0000 C 0 0 0 0 0
0.5283 2.3523 0.0000 C 0 0 0 0 0
1.3940 2.8528 0.0000 C 0 0 0 0 0
2.2603 2.3532 0.0000 C 0 0 0 0 0
2.2608 1.3532 0.0000 C 0 0 0 0 0
1.3951 0.8528 0.0000 C 0 0 0 0 0
-3.7984 -9.1500 0.0000 C 0 0 0 0 0
3.1261 2.8537 0.0000 C 0 0 0 0 0
-10.7388 2.8316 0.0000 C 0 0 0 0 0
1 2 1 0 0 0
1 5 1 0 0 0
9 1 1 0 0 0
2 3 1 0 0 0
2 4 1 0 0 0
3 20 1 0 0 0
24 3 1 0 0 0
4 35 1 0 0 0
39 4 1 0 0 0
5 6 1 0 0 0
6 7 1 0 0 0
7 8 1 0 0 0
7 10 1 0 0 0
14 7 1 0 0 0
8 9 1 0 0 0
10 11 1 0 0 0
11 12 1 0 0 0
12 13 1 0 0 0
12 15 1 0 0 0
19 12 1 0 0 0
13 14 1 0 0 0
15 16 1 0 0 0
16 17 1 0 0 0
17 18 1 0 0 0
17 50 1 0 0 0
18 19 1 0 0 0
20 21 1 0 0 0
21 22 1 0 0 0
22 23 1 0 0 0
22 25 1 0 0 0
29 22 1 0 0 0
23 24 1 0 0 0
25 26 1 0 0 0
26 27 1 0 0 0
27 28 1 0 0 0
27 30 1 0 0 0
34 27 1 0 0 0
28 29 1 0 0 0
30 31 1 0 0 0
31 32 1 0 0 0
32 33 1 0 0 0
32 52 1 0 0 0
33 34 1 0 0 0
35 36 1 0 0 0
36 37 1 0 0 0
37 38 1 0 0 0
37 40 1 0 0 0
44 37 1 0 0 0
38 39 1 0 0 0
40 41 1 0 0 0
41 42 1 0 0 0
42 43 1 0 0 0
42 45 1 0 0 0
49 42 1 0 0 0
43 44 1 0 0 0
45 46 1 0 0 0
46 47 1 0 0 0
47 48 1 0 0 0
47 51 1 0 0 0
48 49 1 0 0 0
M END
|
