ATOM 52
1 C8y C 33.2444 -14.7513
2 N2y N 34.5711 -15.1886 #+
3 C8y C 33.2587 -13.3601
4 C8x C 32.0254 -15.4325
5 C1y C 35.4029 -14.0630
6 C2b C 34.5711 -16.5941
7 C1x C 34.5854 -12.9299
8 C8x C 32.0541 -12.6502
9 C8y C 30.8981 -14.7297
10 C6a C 36.8082 -14.0557
11 C2b C 35.7828 -17.3040
12 C8y C 30.8424 -13.3387
13 O2a O 29.6089 -15.4109
14 O6a O 37.5038 -12.8438
15 O6a O 37.5038 -15.2820 #-
16 C2y C 35.7828 -18.7093
17 O1a O 29.6232 -12.6288
18 C1y C 28.4115 -16.1208
19 C1x C 34.5638 -19.4049
20 C2x C 36.9947 -19.4049
21 O2x O 27.1925 -15.4469
22 C1y C 28.4402 -17.5263
23 C1y C 34.5638 -20.8104
24 C2y C 36.9947 -20.8104
25 C1y C 25.9879 -16.1639
26 C1y C 27.2426 -18.2433
27 O1a O 29.6735 -18.2076
28 N1x N 35.7828 -21.5131
29 C6a C 33.3519 -21.5131
30 C6a C 38.2137 -21.5131
31 C1y C 25.9393 -17.5694
32 C1b C 24.7616 -15.4899
33 O1a O 27.2643 -19.6559
34 O6a O 32.1329 -20.8104
35 O6a O 33.3519 -22.9186
36 O6a O 38.2137 -22.9186
37 O6a O 39.4327 -20.8104
38 O1a O 24.8117 -18.2864
39 O7a O 23.5640 -16.2069
40 C7a C 22.3451 -15.5400
41 C2b C 21.1548 -16.2570
42 O6a O 22.3380 -14.1418
43 C2b C 19.9287 -15.5831
44 C8y C 18.7384 -16.3073
45 C8x C 17.5265 -15.6045
46 C8x C 18.7455 -17.7056
47 C8y C 16.3146 -16.3073
48 C8x C 17.5336 -18.4082
49 C8y C 16.3219 -17.7056
50 O2a O 15.1100 -15.6118
51 O1a O 15.1100 -18.4012
52 C1a C 13.9053 -16.3144
BOND 56
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1 #Up
10 6 11 1
11 8 12 2
12 9 13 1
13 10 14 2
14 10 15 1
15 11 16 2
16 12 17 1
17 18 13 1 #Up
18 16 19 1
19 16 20 1
20 18 21 1
21 18 22 1
22 19 23 1
23 20 24 2
24 21 25 1
25 22 26 1
26 22 27 1 #Down
27 23 28 1
28 23 29 1 #Down
29 24 30 1
30 25 31 1
31 25 32 1 #Up
32 26 33 1 #Up
33 29 34 1
34 29 35 2
35 30 36 1
36 30 37 2
37 31 38 1 #Down
38 32 39 1
39 39 40 1
40 40 41 1
41 40 42 2
42 41 43 2
43 43 44 1
44 44 45 1
45 44 46 2
46 45 47 2
47 46 48 1
48 47 49 1
49 47 50 1
50 49 51 1
51 50 52 1
52 5 7 1
53 9 12 1
54 24 28 1
55 26 31 1
56 48 49 2
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