ATOM 45
1 C1y C 29.6210 -17.0917
2 N1y N 29.6210 -18.4695
3 C2y C 30.8142 -19.1582
4 C2y C 32.0074 -18.4695
5 C1x C 32.0074 -17.0917
6 S2x S 30.8142 -16.4028
7 C1y C 28.2431 -17.0917
8 C5x C 28.2431 -18.4695
9 N1b N 27.0501 -16.4028
10 C5a C 25.8567 -17.0917
11 O5a O 25.8567 -18.4695
12 O5x O 27.0501 -19.1582
13 C1c C 24.6636 -16.4028
14 C1b C 33.2189 -19.1692
15 C6a C 30.8142 -20.5357
16 O6a O 29.6044 -21.2343
17 O6a O 31.9907 -21.2151 #-
18 N1b N 23.4511 -17.1031
19 C5a C 22.2594 -16.4150
20 N1y N 21.0677 -17.1031
21 S2a S 34.4169 -18.4777
22 C8y C 35.6098 -19.1667
23 N5x N 35.9908 -20.4873
24 N5x N 37.3686 -20.5373
25 N5x N 37.8420 -19.2425
26 N4y N 36.7567 -18.3922
27 O5a O 22.2595 -15.0376
28 C5x C 19.8845 -16.4200
29 C5x C 18.6909 -17.1089
30 N1y N 18.6908 -18.4872
31 C1x C 19.8741 -19.1703
32 C1x C 21.0676 -18.4814
33 O5x O 19.8845 -15.0378
34 O5x O 17.4790 -16.4090
35 C1b C 17.4826 -19.1849
36 C1a C 16.2944 -18.4991
37 C1a C 36.7359 -16.9955
38 C8y C 24.6638 -14.9712
39 C8x C 25.8698 -14.2750
40 C8x C 25.8698 -12.8707
41 C8y C 24.6538 -12.1685
42 C8x C 23.4478 -12.8647
43 C8x C 23.4477 -14.2689
44 O1a O 24.6539 -10.7583
45 Z Na 33.3991 -21.2043 #+
BOND 48
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 13 18 1
20 18 19 1
21 19 20 1
22 14 21 1
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 22 26 1
29 19 27 2
30 20 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 20 32 1
36 28 33 2
37 29 34 2
38 30 35 1
39 35 36 1
40 26 37 1
41 38 39 2
42 39 40 1
43 40 41 2
44 41 42 1
45 42 43 2
46 38 43 1
47 41 44 1
48 13 38 1 #Down
| 
