ATOM 46
1 C1y C 33.6892 -23.0425
2 N1y N 33.6892 -24.4195
3 C2y C 34.8819 -25.1078
4 C2y C 36.0743 -24.4195
5 C1x C 36.0743 -23.0425
6 S2x S 34.8819 -22.3540
7 C1y C 32.3121 -23.0425
8 C5x C 32.3121 -24.4195
9 N1b N 31.1197 -22.3540
10 C5a C 29.9269 -23.0425
11 O5a O 29.9269 -24.4195
12 O5x O 31.1197 -25.1078
13 C1b C 28.7345 -22.3540
14 C1b C 37.2851 -25.1188
15 C8y C 27.5227 -23.0540
16 S2a S 38.4826 -24.4278
17 C8y C 39.6749 -25.1164
18 N5x N 40.0750 -26.5008
19 N5x N 41.4527 -26.5306
20 N5x N 41.9067 -25.1606
21 N4y N 40.8096 -24.3267
22 C8x C 26.3866 -22.2539
23 S2x S 25.2700 -23.0876
24 C8y C 25.7176 -24.4069
25 N5x N 27.1109 -24.4589
26 C1b C 40.8407 -22.9109
27 C1b C 42.0351 -22.1766
28 N1c N 43.2426 -22.8297
29 C1a C 44.3949 -22.1209
30 C1a C 43.2824 -24.2226
31 N1a N 24.8785 -25.5330
32 C7a C 34.8819 -27.3347
33 O6a O 33.6834 -28.0267
34 O7a O 36.0874 -28.0308
35 C1c C 36.0874 -29.4188
36 C1a C 34.8706 -30.1215
37 O7a O 37.2727 -30.1033
38 C7a C 38.4516 -29.4225
39 O7a O 39.6318 -30.1041
40 C1y C 40.8113 -29.4230
41 O6a O 38.4517 -28.0289
42 C1x C 41.9913 -30.1043
43 C1x C 43.1933 -29.4103
44 C1x C 43.1934 -28.0223
45 C1x C 42.0134 -27.3411
46 C1x C 40.8114 -28.0350
BOND 50
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 13 15 1
17 14 16 1
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 17 21 1
24 15 22 2
25 22 23 1
26 23 24 1
27 24 25 2
28 15 25 1
29 21 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 28 30 1
34 24 31 1
35 3 32 1
36 32 33 2
37 32 34 1
38 34 35 1
39 35 36 1
40 35 37 1
41 37 38 1
42 38 39 1
43 39 40 1
44 38 41 2
45 40 42 1
46 42 43 1
47 43 44 1
48 44 45 1
49 45 46 1
50 40 46 1
| 
