ATOM 30
1 C1y C 22.1596 -17.0357
2 O2x O 20.9661 -16.3572
3 O2a O 23.4665 -16.2693
4 C1y C 22.1596 -18.3991
5 C1y C 19.7786 -17.0357
6 C1c C 23.4601 -14.6296
7 C1y C 20.9661 -19.0901
8 O1a O 23.3407 -19.0901
9 C1y C 19.7786 -18.3991
10 C1b C 18.6102 -16.3572
11 C8y C 22.2854 -13.9447
12 C3b C 24.6476 -13.9447
13 O1a O 20.9661 -20.4534
14 O1a O 18.8502 -19.0454
15 C8x C 21.0855 -14.6422
16 C8x C 22.2854 -12.5626
17 N3a N 25.8286 -13.2601
18 C8x C 19.9043 -13.9447
19 C8x C 21.0855 -11.8842
20 C8x C 19.9043 -12.5626
21 O2a O 17.4076 -17.0800
22 C1y C 16.1951 -16.3800
23 O2x O 16.1951 -14.9802
24 C1x C 14.9827 -14.2802
25 C1y C 13.7703 -14.9802
26 C1y C 13.7703 -16.3800
27 C1y C 14.9827 -17.0800
28 O1a O 12.5727 -17.0715
29 O1a O 12.5726 -14.2886
30 O1a O 14.9827 -18.4800
BOND 32
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 6 3 1 #Down
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 6 12 1
12 7 13 1 #Up
13 9 14 1 #Down
14 11 15 1
15 11 16 2
16 12 17 3
17 15 18 2
18 16 19 1
19 18 20 1
20 7 9 1
21 19 20 2
22 10 21 1
23 22 21 1 #Up
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 22 27 1
30 26 28 1 #Up
31 25 29 1 #Up
32 27 30 1 #Down
| 
