ATOM 36
1 C1y C 21.6277 -15.8074
2 N1y N 21.6277 -17.2070
3 C2y C 22.8399 -17.9067
4 C2y C 24.0521 -17.2070
5 C1x C 24.0521 -15.8074
6 S2x S 22.8399 -15.1076
7 C1y C 20.2280 -15.8074
8 C5x C 20.2280 -17.2070
9 N1b N 19.0160 -15.1076
10 C5a C 17.8035 -15.8074
11 O5a O 17.8035 -17.2070
12 O5x O 19.0160 -17.9067
13 C1c C 16.5914 -15.1076
14 C1b C 25.2828 -17.9179
15 C6a C 22.8399 -19.3063
16 O6a O 21.6108 -20.0160
17 O6a O 24.0351 -19.9965 #-
18 N5y N 26.4920 -17.2200 #+
19 C8x C 27.7044 -17.9200
20 C8x C 28.9169 -17.2200
21 C8y C 28.9169 -15.8201
22 C8x C 27.7044 -15.1201
23 C8x C 26.4920 -15.8201
24 C5a C 30.1237 -15.1233
25 N1a N 31.3161 -15.8119
26 O5a O 30.1238 -13.7199
27 S4a S 15.3726 -15.8113
28 C8y C 16.5914 -13.7200
29 O1d O 15.3723 -17.2197
30 O1d O 15.3726 -14.4113
31 O1d O 13.9726 -15.8113
32 C8x C 17.8028 -13.0206
33 C8x C 17.8028 -11.6206
34 C8x C 16.5903 -10.9206
35 C8x C 15.3790 -11.6200
36 C8x C 15.3790 -13.0200
BOND 39
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 14 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 21 24 1
27 24 25 1
28 24 26 2
29 13 27 1
30 13 28 1 #Down
31 27 29 2
32 27 30 2
33 27 31 1
34 28 32 2
35 32 33 1
36 33 34 2
37 34 35 1
38 35 36 2
39 28 36 1
| 
