ATOM 33
1 C8x C 34.0533 -18.5346
2 C8y C 34.0533 -19.9349
3 C8x C 35.2690 -20.6351
4 C8x C 36.4775 -19.9349
5 C8x C 36.4775 -18.5346
6 C8y C 35.2690 -17.8344
7 N1y N 23.4229 -20.6146
8 C1y C 23.4229 -19.1399
9 C2y C 24.7573 -20.9659
10 C5x C 22.0181 -20.5504
11 C1y C 22.0181 -19.1399
12 C1y C 24.7514 -18.7127
13 C2y C 25.5767 -19.8363
14 C6a C 25.1963 -22.3004
15 O5x O 21.0055 -21.5396
16 C1c C 20.7948 -18.4375
17 C1a C 25.1143 -17.3546
18 S2a S 26.9814 -19.8363
19 O6a O 26.5659 -22.5872
20 O6a O 24.2598 -23.3422
21 C1a C 19.5775 -19.1339
22 O1a O 20.7831 -17.0268
23 C1y C 28.1813 -20.5387
24 N1x N 29.3519 -19.7837
25 S2x S 28.5442 -21.8849
26 C1y C 30.4289 -20.6558
27 C1x C 29.9314 -21.8851
28 C5a C 31.6346 -19.9475
29 O5a O 31.6288 -18.5487
30 N1b N 32.8514 -20.6405
31 C6a C 35.2557 -16.4341
32 O6a O 36.4617 -15.7224
33 O6a O 34.0363 -15.7455
BOND 36
1 2 3 1
2 3 4 2
3 7 8 1
4 7 9 1
5 7 10 1
6 8 11 1
7 8 12 1
8 9 13 2
9 9 14 1
10 10 15 2
11 11 16 1
12 12 17 1
13 13 18 1
14 14 19 1
15 14 20 2
16 16 21 1
17 16 22 1
18 23 18 1
19 23 24 1
20 23 25 1
21 24 26 1
22 25 27 1
23 26 28 1
24 28 29 2
25 10 11 1
26 12 13 1
27 26 27 1
28 4 5 1
29 28 30 1
30 30 2 1
31 5 6 2
32 6 31 1
33 6 1 1
34 31 32 1
35 31 33 2
36 1 2 2
| 
