ATOM 37
1 Z Na 7.9569 -26.3048 #+
2 C1y C 17.5726 -26.3110
3 N1y N 17.5726 -27.7109
4 C2y C 18.7851 -28.4108
5 C2y C 19.9976 -27.7109
6 C1x C 19.9976 -26.3110
7 S2x S 18.7851 -25.6110
8 C1y C 16.1726 -26.3110
9 C5x C 16.1726 -27.7109
10 N1b N 14.9603 -25.6110
11 C5a C 13.7476 -26.3110
12 O5a O 13.7476 -27.7109
13 O5x O 14.9603 -28.4108
14 C1c C 12.5352 -25.6110
15 C1b C 21.2286 -28.4220
16 C6a C 18.7851 -29.8107
17 O6a O 17.5557 -30.5206
18 O6a O 19.9806 -30.5011 #-
19 N5y N 22.4380 -27.7239 #+
20 C8x C 23.6507 -28.4241
21 C8x C 24.8635 -27.7239
22 C8y C 24.8635 -26.3237
23 C8x C 23.6507 -25.6235
24 C8x C 22.4380 -26.3237
25 C5a C 26.0706 -25.6267
26 N1a N 27.2632 -26.3155
27 O5a O 26.0707 -24.2230
28 S4a S 11.3161 -26.3149
29 C8y C 12.5352 -24.2231
30 O1d O 11.3158 -27.7236
31 O1d O 11.3161 -24.9146
32 O1d O 9.9158 -26.3149 #-
33 C8x C 13.7469 -23.5236
34 C8x C 13.7469 -22.1232
35 C8x C 12.5341 -21.4231
36 C8x C 11.3225 -22.1226
37 C8x C 11.3225 -23.5230
BOND 39
1 2 3 1
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 1
6 2 7 1
7 2 8 1
8 8 9 1
9 3 9 1
10 8 10 1 #Up
11 10 11 1
12 11 12 2
13 9 13 2
14 11 14 1
15 5 15 1
16 4 16 1
17 16 17 2
18 16 18 1
19 15 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 2
25 19 24 1
26 22 25 1
27 25 26 1
28 25 27 2
29 14 28 1
30 14 29 1 #Down
31 28 30 2
32 28 31 2
33 28 32 1
34 29 33 2
35 33 34 1
36 34 35 2
37 35 36 1
38 36 37 2
39 29 37 1
| 
