ATOM 34
1 C1y C 30.6118 -18.1304
2 C1y C 31.8229 -18.8345
3 C1y C 33.0357 -18.1332
4 C1y C 33.0372 -16.7349
5 C1y C 31.8263 -16.0379
6 C1y C 30.6135 -16.7320
7 C1y C 25.7678 -19.5385
8 C1y C 25.7678 -20.9397
9 C1y C 26.9850 -21.6438
10 C1y C 28.1952 -20.9397
11 C1y C 28.1952 -19.5385
12 O2x O 26.9850 -18.8414
13 O2a O 29.4031 -18.8424
14 N1b N 29.4031 -21.6428
15 O1a O 24.5537 -21.6443
16 C1b C 24.5537 -18.8409
17 O1a O 26.9868 -23.0448
18 O1a O 23.3316 -19.5245
19 O1a O 31.8280 -14.6369
20 O1a O 34.2491 -18.8387
21 O1a O 31.8212 -20.2355
22 O1a O 29.4001 -16.0337
23 O1a O 34.2525 -16.0394
24 C5a C 29.3938 -23.0379
25 C1c C 30.6049 -23.7349
26 N1b N 31.8200 -23.0392
27 C1b C 30.6032 -25.1360
28 C5a C 33.0335 -23.7378
29 C1a C 34.2488 -23.0421
30 O5a O 33.0319 -25.1388
31 O5a O 28.1837 -23.7302
32 S2a S 29.3879 -25.8386
33 C4a C 29.3888 -27.2300
34 O4a O 28.1852 -27.9259
BOND 35
1 7 16 1 #Up
2 3 4 1
3 9 17 1 #Up
4 4 5 1
5 16 18 1
6 1 13 1 #Up
7 5 6 1
8 5 19 1 #Up
9 7 8 1
10 3 20 1 #Up
11 8 9 1
12 2 21 1 #Up
13 9 10 1
14 6 22 1 #Down
15 10 11 1
16 4 23 1 #Down
17 11 12 1
18 14 24 1
19 12 7 1
20 24 25 1
21 6 1 1
22 25 26 1
23 11 13 1 #Down
24 25 27 1 #Up
25 26 28 1
26 10 14 1 #Down
27 28 29 1
28 1 2 1
29 28 30 2
30 8 15 1 #Down
31 24 31 2
32 2 3 1
33 27 32 1
34 32 33 1
35 33 34 2
| 
