blob: c23c0da02c6020ac7eec1f6298c1988986cee717 (
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
|
5-cyclobutyl-2-cycloheptylphosphinane
-ISIS- 2D
Used JOELib chemistry kernel (expert systems) ID is 715333816
17 19 0 0 0 0 0 0 0 0 1 V2000
11.5601 -7.2473 -0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9182 -5.7812 -0.8202 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8945 -6.3064 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0579 -5.1632 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1518 -6.8939 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9384 -7.7871 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1751 -6.6864 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6125 -7.4850 0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6013 -8.5627 0.2967 P 0 0 0 0 0 0 0 0 0 0 0 0
15.4289 -8.6482 0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3401 -9.4580 0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3497 -10.0100 0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0690 -10.3513 1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7372 -10.8208 0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0702 -11.4419 1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2826 -11.6494 1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1815 -11.8748 1.2967 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 1 1 0 0 0 0
4 3 1 0 0 0 0
4 2 1 0 0 0 0
5 3 1 0 0 0 0
6 5 1 0 0 0 0
7 5 1 0 0 0 0
8 7 1 0 0 0 0
9 6 1 0 0 0 0
10 9 1 0 0 0 0
10 8 1 0 0 0 0
11 10 1 0 0 0 0
12 11 1 0 0 0 0
13 11 1 0 0 0 0
14 12 1 0 0 0 0
15 13 1 0 0 0 0
16 14 1 0 0 0 0
17 16 1 0 0 0 0
17 15 1 0 0 0 0
M END
|