ATOM 53
1 C8y C 14.5264 -20.9987
2 C8y C 14.5264 -22.4208
3 N2x N 15.7564 -20.2847
4 C8y C 13.2967 -20.3035
5 N1x N 15.7691 -23.1231
6 N5x N 13.2967 -23.1291
7 C2y C 16.9919 -20.9987
8 N4x N 12.1044 -20.9987
9 O5x O 13.2967 -18.9060
10 C1y C 17.0050 -22.4208
11 C8y C 12.1044 -22.4208
12 C1c C 18.1973 -20.2906
13 C1a C 18.2160 -23.1102
14 N1a N 10.9163 -23.1043
15 N1b N 19.4083 -20.9800
16 C1a C 18.2219 -18.9307
17 C8y C 20.6236 -20.2916
18 C8x C 20.6236 -18.8883
19 C8x C 21.8219 -21.0055
20 C8x C 21.8219 -18.1858
21 C8x C 23.0516 -20.2916
22 C8y C 23.0516 -18.8883
23 C1b C 24.2697 -18.1858
24 C1c C 25.4737 -18.8753
25 C1c C 26.6791 -18.1801
26 O1a O 25.4737 -20.2728
27 C1c C 27.8902 -18.8753
28 O1a O 26.6791 -16.7827
29 C1b C 29.1071 -18.1801
30 O1a O 27.8960 -20.2670
31 O2a O 30.3123 -18.8695
32 C1y C 31.6348 -18.4345
33 O2x O 32.7720 -19.2481
34 C1y C 32.0697 -17.1119
35 C1y C 33.8894 -18.4403
36 C1y C 33.4732 -17.1179
37 O1a O 31.2502 -15.9690
38 C1b C 35.2060 -18.8753
39 O1a O 34.2996 -15.9690
40 O2b O 35.5050 -20.2482
41 P1b P 36.8894 -20.2482
42 O2b O 38.2929 -20.2482
43 O1c O 36.8894 -18.8509
44 O1c O 36.8894 -21.6457
45 C1c C 39.6224 -20.6890
46 C1b C 39.9014 -22.0619
47 C6a C 40.6660 -19.7699
48 C1b C 38.8580 -22.9812
49 O6a O 42.0011 -20.2048
50 O6a O 40.3856 -18.3911
51 C6a C 39.1382 -24.3470
52 O6a O 38.0877 -25.2849
53 O6a O 40.4606 -24.7949
BOND 56
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 10 13 1 #Down
13 11 14 1
14 12 15 1
15 12 16 1 #Up
16 15 17 1
17 17 18 1
18 17 19 2
19 18 20 2
20 19 21 1
21 20 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 24 26 1 #Up
26 25 27 1
27 25 28 1 #Down
28 27 29 1
29 27 30 1 #Up
30 29 31 1
31 32 31 1 #Down
32 32 33 1
33 32 34 1
34 33 35 1
35 34 36 1
36 34 37 1 #Down
37 35 38 1 #Up
38 36 39 1 #Down
39 38 40 1
40 40 41 1
41 41 42 1
42 41 43 1
43 41 44 2
44 42 45 1
45 45 46 1
46 45 47 1 #Down
47 46 48 1
48 47 49 1
49 47 50 2
50 48 51 1
51 51 52 1
52 51 53 2
53 7 10 1
54 8 11 1
55 21 22 2
56 35 36 1
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