-
Notifications
You must be signed in to change notification settings - Fork 7
/
seq.mol
55 lines (54 loc) · 2.35 KB
/
seq.mol
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
untitled
ChemPy 3D 0
25 24 0 0 1 0 0 0 0 0999 V2000
-19.5520 51.8110 27.1800 N 0 0 0 0 0 0 0 0 0 0 0 0
-19.8010 50.5160 26.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.2980 50.3220 26.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
-21.7080 49.5430 25.3900 O 0 0 0 0 0 0 0 0 0 0 0 0
-19.2540 49.3590 27.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
-19.4390 47.9730 26.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.4630 47.6930 25.2150 S 0 0 0 0 0 0 0 0 0 0 0 0
-19.6870 48.0100 23.9350 C 0 0 0 0 0 0 0 0 0 0 0 0
-22.1070 51.0420 27.0240 N 0 0 0 0 0 0 0 0 0 0 0 0
-23.5620 50.9600 26.9200 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.0560 51.9100 25.8340 C 0 0 0 0 0 0 0 0 0 0 0 0
-25.1390 51.7280 25.2740 O 0 0 0 0 0 0 0 0 0 0 0 0
-24.2040 51.3540 28.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
-23.5710 50.7060 29.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.0280 51.3480 30.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
-25.2440 51.3100 31.0520 O 0 0 0 0 0 0 0 0 0 0 0 0
-23.1720 51.8960 31.4930 O 0 5 0 0 0 0 0 0 0 0 0 0
-23.2520 52.9270 25.5500 N 0 0 0 0 0 0 0 0 0 0 0 0
-23.5910 53.9260 24.5470 C 0 0 0 0 0 0 0 0 0 0 0 0
-23.1590 53.5290 23.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
-23.2690 54.3270 22.2130 O 0 0 0 0 0 0 0 0 0 0 0 0
-22.9460 55.2610 24.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
-23.4850 55.8260 26.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.6140 55.2930 26.6730 N 0 0 0 0 0 0 0 0 0 0 0 0
-22.8980 56.7390 26.7950 O 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 5 1 0 0 0 0
3 4 2 0 0 0 0
3 9 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 13 1 0 0 0 0
11 12 2 0 0 0 0
11 18 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
19 22 1 0 0 0 0
20 21 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
M CHG 1 17 -1
M END