ATOM 37
1 N4y N 25.8021 -15.2314
2 C8y C 24.6131 -14.5261
3 C8x C 27.0087 -14.5261
4 N4x N 24.6131 -13.1389
5 O5x O 23.4242 -15.2081
6 C8y C 27.0087 -13.1389
7 C8y C 25.8021 -12.4454
8 C1a C 28.1859 -12.4454
9 O5x O 25.8021 -11.0816
10 C1y C 25.2295 -16.8213
11 O2x O 24.1416 -16.0274
12 C1x C 24.8177 -18.2026
13 C1y C 22.9921 -16.8680
14 C1y C 23.4119 -18.2026
15 C1b C 21.6562 -16.4295
16 O1a O 22.5841 -19.3288
17 O2b O 20.6116 -17.3692
18 P1b P 19.2117 -17.3692
19 O2c O 17.8116 -17.3692
20 O1c O 19.2058 -18.7693
21 O1c O 19.2058 -15.9690
22 P1b P 16.4057 -17.3692
23 O2b O 15.0059 -17.3692
24 O1c O 16.4000 -18.7693
25 O1c O 16.4000 -15.9690
26 C1y C 13.8157 -18.0512
27 C1x C 13.8040 -19.4338
28 O2x O 12.6253 -17.3634
29 C1z C 12.6020 -20.1225
30 C1y C 11.4305 -18.0335
31 C1y C 11.4189 -19.4162
32 N1b N 13.7454 -21.2691
33 C1a C 10.2461 -17.3518
34 O2a O 10.1997 -20.1051
35 C1a C 11.9824 -21.1947
36 C1a C 9.0068 -19.4013
37 O1b O 15.1418 -21.2658
BOND 39
1 2 5 2
2 3 6 2
3 4 7 1
4 6 8 1
5 7 9 2
6 6 7 1
7 10 1 1 #Up
8 1 2 1
9 1 3 1
10 10 11 1
11 10 12 1
12 11 13 1
13 12 14 1
14 13 15 1 #Up
15 14 16 1 #Down
16 15 17 1
17 17 18 1
18 18 19 1
19 18 20 1
20 18 21 2
21 19 22 1
22 22 23 1
23 22 24 1
24 22 25 2
25 26 23 1 #Down
26 26 27 1
27 26 28 1
28 27 29 1
29 28 30 1
30 29 31 1
31 29 32 1 #Down
32 30 33 1 #Down
33 31 34 1 #Up
34 13 14 1
35 30 31 1
36 2 4 1
37 29 35 1 #Up
38 34 36 1
39 32 37 1
| 
