ATOM 61
1 C8x C 20.1668 -15.3363
2 C8x C 21.5673 -15.3363
3 C8y C 22.2675 -14.1458
4 C8x C 21.5673 -12.8853
5 C8x C 20.1668 -12.8853
6 C8y C 19.4665 -14.1458
7 N1y N 23.6681 -14.1458
8 C1x C 24.3683 -15.3363
9 C1x C 25.7688 -15.3363
10 N1y N 26.4690 -14.1458
11 C1x C 25.7688 -12.8853
12 C1x C 24.3683 -12.8853
13 C8y C 27.8695 -14.1458
14 C8x C 28.5698 -15.3363
15 C8x C 29.9702 -15.3363
16 C8y C 30.6706 -14.1458
17 C8x C 29.9702 -12.9553
18 C8x C 28.5698 -12.9553
19 O2a O 32.0710 -14.1458
20 C1b C 32.7712 -15.3363
21 C1y C 34.1718 -15.3363
22 C1x C 35.0120 -16.4566
23 C1z C 36.3426 -16.0365
24 O2x O 36.3426 -14.6360
25 C1x C 35.0120 -14.2158
26 C8y C 36.3426 -17.4369
27 C1b C 37.5330 -15.3363
28 N5x N 38.2332 -11.7650
29 C8x C 36.8327 -11.7650
30 N5x N 36.4126 -13.0955
31 N4y N 37.5330 -13.9357
32 C8x C 38.6534 -13.0955
33 C8y C 35.1297 -18.1373
34 C8x C 35.1297 -19.5377
35 C8y C 36.3426 -20.2380
36 C8x C 37.5554 -19.5377
37 C8x C 37.5554 -18.1373
38 X F 33.9338 -17.4465
39 X F 36.3426 -21.6385
40 N4y N 18.0661 -14.1630
41 C8y C 17.2207 -13.0292
42 N4y N 15.8810 -13.4829
43 N5x N 15.8985 -14.8971
44 C8x C 17.2490 -15.3176
45 O5x O 17.6385 -11.6871
46 C1c C 14.7627 -12.6917
47 C1c C 13.5069 -13.2699
48 C1a C 12.3525 -12.4536
49 C1b C 14.8929 -11.2798
50 C1a C 16.1849 -10.6846
51 O7a O 13.3814 -14.6297
52 C7a C 12.6749 -15.8457
53 C1b C 11.2748 -15.8509
54 C1b C 10.5793 -17.0659
55 C1b C 9.1792 -17.0710
56 O2b O 8.4836 -18.2862
57 O6a O 13.3636 -17.0370
58 P1b P 7.0704 -18.2915
59 O1c O 5.6701 -18.2708
60 O1c O 7.0702 -16.8707
61 O1c O 7.0702 -19.6708
BOND 67
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 3 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 10 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 19 20 1
23 21 20 1 #Down
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 21 25 1
29 23 26 1
30 23 27 1 #Down
31 28 29 1
32 29 30 2
33 30 31 1
34 31 32 1
35 28 32 2
36 31 27 1
37 26 33 2
38 33 34 1
39 34 35 2
40 35 36 1
41 36 37 2
42 26 37 1
43 33 38 1
44 35 39 1
45 6 40 1
46 40 41 1
47 41 42 1
48 42 43 1
49 43 44 2
50 40 44 1
51 41 45 2
52 42 46 1
53 46 47 1
54 47 48 1
55 46 49 1 #Down
56 49 50 1
57 47 51 1 #Up
58 51 52 1
59 52 53 1
60 53 54 1
61 54 55 1
62 55 56 1
63 52 57 2
64 56 58 1
65 58 59 1
66 58 60 2
67 58 61 1
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