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
|
Mrv0540 11031104282D
12 11 0 0 0 0 999 V2000
-3.6536 0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9391 1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2246 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9391 2.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5102 1.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7957 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0812 1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7957 0.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6333 0.9134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2246 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0812 2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6333 2.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 2 0 0 0 0
7 9 1 0 0 0 0
3 10 1 0 0 0 0
7 11 1 0 0 0 0
11 12 1 0 0 0 0
M STY 1 1 SUP
M SAL 1 6 6 7 8 9 11 12
M SBL 1 1 5
M SMT 1 abbrev
M SDS EXP 1 1
M END
|
