ATOM 30
1 C8y C 19.0815 -21.4408
2 C8y C 19.0815 -22.8412
3 C8x C 20.2980 -23.5379
4 C8y C 21.5076 -22.8412
5 C8x C 21.5076 -21.4408
6 C8x C 20.2980 -20.7372
7 O2a O 17.8680 -20.7365
8 O2a O 17.8680 -23.5386
9 C1b C 22.7218 -23.5371
10 C1c C 23.9351 -22.8394
11 C1c C 25.1424 -23.5352
12 C1b C 26.3555 -22.8377
13 C8y C 27.5697 -23.5333
14 C8x C 27.5692 -24.9309
15 C8x C 28.7833 -25.6339
16 C8y C 29.9967 -24.9292
17 C8y C 29.9956 -23.5288
18 C8x C 28.7813 -22.8331
19 O2a O 31.2108 -25.6320
20 O2a O 31.2088 -22.8313
21 C1b C 23.9040 -21.4472
22 C1a C 16.6540 -21.4396
23 C1a C 16.6540 -22.8424
24 C1b C 25.1434 -24.9357
25 O2a O 23.9371 -25.6403
26 C1a C 22.7230 -24.9373
27 O2a O 25.0947 -20.7166
28 C1a C 26.3238 -21.3930
29 C1a C 32.4230 -23.5271
30 C1a C 32.4240 -24.9274
BOND 31
1 2 8 1
2 2 3 1
3 13 14 2
4 14 15 1
5 15 16 2
6 16 17 1
7 17 18 2
8 18 13 1
9 4 9 1
10 16 19 1
11 3 4 2
12 17 20 1
13 9 10 1
14 10 21 1 #Down
15 4 5 1
16 7 22 1
17 10 11 1
18 8 23 1
19 5 6 2
20 11 24 1 #Down
21 11 12 1
22 24 25 1
23 6 1 1
24 25 26 1
25 12 13 1
26 21 27 1
27 27 28 1
28 1 7 1
29 20 29 1
30 1 2 2
31 19 30 1
| 
