ATOM 39
1 N4y N 21.7548 -18.2335
2 C8y C 21.5037 -17.0050
3 C1y C 20.4611 -19.9813
4 C8x C 23.0012 -18.3671
5 C8y C 22.5922 -16.3901
6 N5x N 20.4090 -16.3651
7 O2x O 19.4224 -19.2350
8 C1y C 20.0822 -21.1604
9 N5x N 23.5127 -17.2344
10 C8y C 22.5421 -15.1200
11 C8x C 20.4058 -15.1086
12 C1y C 18.4142 -19.9578
13 C1y C 18.8107 -21.1604
14 O2b O 20.8227 -22.1687
15 N4y N 21.5176 -14.4804
16 N2a N 23.6965 -14.5105
17 C1x C 16.8829 -19.9722
18 O1a O 18.0867 -22.1687
19 O2x O 15.0654 -19.1666
20 P1b P 15.0617 -17.8134
21 O2x O 15.0437 -16.1149
22 O1c O 13.5970 -17.8237
23 O1c O 16.4619 -17.8035
24 P1b P 15.0386 -14.5518
25 O2x O 15.0874 -13.2044
26 O1c O 13.6382 -14.5678
27 O1c O 16.4448 -14.5420
28 C1x C 16.5347 -12.3720
29 C1y C 18.2169 -12.4407
30 O2x O 19.2567 -13.1430
31 C1y C 18.5523 -11.1657
32 C1y C 20.2717 -12.3615
33 C1y C 19.8473 -11.1455
34 O1a O 17.8183 -10.2387
35 O1a O 20.5667 -10.1645
36 P1b P 20.8227 -23.5687
37 O1c O 20.8227 -24.9687
38 O1c O 19.4227 -23.5687
39 O1c O 22.2227 -23.5687
BOND 43
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 1
15 10 16 2
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 19 20 1
20 20 21 1
21 20 22 1
22 20 23 2
23 21 24 1
24 24 25 1
25 24 26 1
26 24 27 2
27 25 28 1
28 29 28 1 #Down
29 29 30 1
30 29 31 1
31 30 32 1
32 31 33 1
33 31 34 1 #Up
34 33 35 1 #Up
35 5 9 1
36 11 15 1
37 12 13 1
38 32 33 1
39 32 15 1 #Down
40 14 36 1
41 36 37 1
42 36 38 2
43 36 39 1
| 
