ATOM 39
1 N4y N 27.9322 -15.2362
2 C8y C 26.6886 -14.8458
3 C1y C 26.3028 -17.3546
4 C8x C 28.7513 -14.1730
5 C8y C 26.6766 -13.5423
6 N5x N 25.5471 -15.5128
7 O2x O 25.2217 -16.5737
8 C1y C 25.9065 -18.5800
9 N5x N 27.9141 -13.1338
10 C8y C 25.5351 -12.8814
11 C8x C 24.3998 -14.8759
12 C1y C 24.1645 -17.3304
13 C1y C 24.5789 -18.5800
14 O1a O 26.6814 -19.6374
15 N5x N 24.3939 -13.5483
16 N1a N 25.5293 -11.5780
17 C1b C 22.9330 -16.9462
18 O1a O 23.8281 -19.6374
19 O2b O 21.8815 -16.8981
20 P1b P 20.4700 -16.8919
21 O2c O 18.7039 -16.8981
22 O1c O 20.4700 -18.4179
23 O1c O 20.4700 -15.4324
24 P1b P 17.0697 -16.8919
25 O2b O 15.6641 -16.9039
26 O1c O 17.0759 -18.3519
27 O1c O 17.0697 -15.4263
28 C1b C 14.3005 -16.8862
29 C1y C 13.0812 -17.3125
30 O2x O 11.9936 -16.5917
31 C1y C 12.7385 -18.6461
32 C1y C 10.9425 -17.4087
33 C1y C 11.3871 -18.6063
34 O1a O 13.5137 -19.6757
35 O1a O 9.6510 -16.1471
36 O7a O 10.6481 -19.7719
37 C7a C 9.2296 -19.7129
38 O6a O 8.4808 -20.8935
39 C1a C 8.5807 -18.4726
BOND 42
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 2
15 10 16 1
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 32 35 1 #Either
35 33 36 1 #Up
36 5 9 1
37 11 15 1
38 12 13 1
39 32 33 1
40 36 37 1
41 37 38 2
42 37 39 1
| 
