-
Notifications
You must be signed in to change notification settings - Fork 191
/
aromaticsdf.sdf
45 lines (44 loc) · 1.84 KB
/
aromaticsdf.sdf
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
obj01
PyMOL2.4 3D 0
19 20 0 0 0 0 0 0 0 0999 V2000
-9.8560 4.1680 6.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1530 2.3900 5.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.9800 3.8670 5.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3550 5.9230 5.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9670 4.6260 5.7880 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.8650 4.6690 4.5960 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.4830 5.9260 4.7620 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.7140 7.0840 5.9050 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.9430 6.7220 4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9290 7.0310 6.4150 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7160 4.9900 7.9660 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6980 5.8430 8.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5640 5.0070 9.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8290 4.2360 9.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9330 6.3430 9.5630 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.0750 5.8300 10.0010 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.5820 6.1620 7.5730 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3590 6.9780 10.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4710 5.7820 6.7240 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 11 1 0 0 0 0
2 3 1 0 0 0 0
3 5 4 0 0 0 0
3 6 4 0 0 0 0
4 5 4 0 0 0 0
4 7 4 0 0 0 0
4 8 1 0 0 0 0
6 7 4 0 0 0 0
7 9 1 0 0 0 0
8 10 1 0 0 0 0
11 12 4 0 0 0 0
11 13 4 0 0 0 0
12 15 4 0 0 0 0
12 17 1 0 0 0 0
13 14 1 0 0 0 0
13 16 4 0 0 0 0
15 16 4 0 0 0 0
15 18 1 0 0 0 0
17 19 1 0 0 0 0
M END
$$$$