ATOM 31
1 C8y C 25.6512 -15.9458
2 C8y C 26.9390 -16.4119
3 C8y C 25.6045 -14.5006
4 C8y C 24.3225 -16.6451
5 C1b C 26.9507 -17.8571
6 C8x C 27.8073 -15.2582
7 N4x N 26.9797 -14.0810
8 C8x C 24.3692 -13.7664
9 C8x C 23.0872 -15.9049
10 O2a O 24.3109 -18.0961
11 C2c C 28.1803 -18.5856
12 C8x C 23.1046 -14.4656
13 C1a C 23.0522 -18.8070
14 S2a S 28.2386 -19.8909
15 N2b N 29.3049 -17.9213
16 C1y C 28.1860 -21.3128
17 O2a O 30.4412 -17.2511
18 O2x O 27.0440 -21.9712
19 C1y C 29.3282 -21.9769
20 S4a S 31.6707 -18.1777
21 C1y C 27.0440 -23.2765
22 C1y C 29.3106 -23.2824
23 O1a O 30.4528 -21.3243
24 O1d O 32.7371 -16.9772
25 O1d O 30.5811 -19.3140
26 O1d O 32.9527 -18.9817
27 C1y C 28.1803 -23.9408
28 C1b C 25.9075 -23.9583
29 O1a O 30.4469 -23.9524
30 O1a O 28.1686 -25.2519
31 O1a O 24.7655 -23.3173
BOND 33
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 8 12 2
12 10 13 1
13 11 14 1
14 11 15 2
15 16 14 1 #Up
16 15 17 1
17 16 18 1
18 16 19 1
19 17 20 1
20 18 21 1
21 19 22 1
22 19 23 1 #Down
23 20 24 2
24 20 25 2
25 20 26 1
26 21 27 1
27 21 28 1 #Up
28 22 29 1 #Up
29 27 30 1 #Down
30 28 31 1
31 6 7 1
32 9 12 1
33 22 27 1
| 
