ATOM 31
1 C1y C 27.2792 -14.8876
2 N1y N 27.2792 -16.2863
3 C2y C 28.4906 -16.9855
4 C2y C 29.7019 -16.2863
5 C1x C 29.7019 -14.8876
6 S2x S 28.4906 -14.1883
7 C1y C 25.8804 -14.8876
8 C5x C 25.8804 -16.2863
9 N1b N 24.6692 -14.1883
10 C5a C 23.4577 -14.8876
11 O5a O 23.4577 -16.2863
12 O5x O 24.6692 -16.9855
13 C1c C 22.2464 -14.1883
14 C1b C 30.9319 -16.9967
15 C6a C 28.4906 -18.3841
16 O6a O 27.2624 -19.0933
17 O6a O 29.6850 -19.0739
18 C8y C 21.0155 -14.8993
19 C8x C 19.8056 -14.2008
20 C8x C 18.5958 -14.8993
21 C8x C 18.5958 -16.2962
22 C8x C 19.8056 -16.9947
23 C8x C 21.0155 -16.2962
24 O1a O 22.2464 -12.7850
25 S2a S 32.1482 -16.2947
26 C8y C 33.3592 -16.9942
27 N5x N 33.8113 -18.3159
28 N5x N 35.2108 -18.3680
29 N5x N 35.6263 -16.9614
30 N4y N 34.4835 -16.1532
31 C1a C 34.5349 -14.7614
BOND 34
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 2 8 1
10 7 9 1 #Up
11 9 10 1
12 10 11 2
13 8 12 2
14 10 13 1
15 4 14 1
16 3 15 1
17 15 16 2
18 15 17 1
19 13 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 18 23 1
26 13 24 1 #Up
27 14 25 1
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 26 30 1
34 30 31 1
| 
