blob: 09f686e8693efbf8fc52cbc5d65bd27c9c895789 (
plain)
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
|
Marvin 09131213202D
21 21 0 0 0 0 999 V2000
-3.2411 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9555 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9555 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2411 -1.4438 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
-2.5266 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5266 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8121 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8121 0.2063 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
-4.6700 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3845 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2095 -0.2062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
-7.0345 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2095 -1.0312 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
-6.2095 0.6188 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
-3.2411 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5266 1.4438 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
-2.5266 2.2688 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
-1.8121 2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2411 2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8121 3.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0977 2.2688 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 6 2 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
2 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
1 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
M CHG 7 4 1 8 -1 13 -1 14 -1 16 1 17 -1 21 -1
M END
|