ATOM 42
1 C1b C 29.4500 -24.4415
2 C8y C 36.7267 -24.4202
3 C8x C 36.7197 -25.8245
4 C8x C 37.9323 -26.5327
5 C8x C 39.1519 -25.8368
6 C8x C 39.1591 -24.4324
7 C8x C 37.9464 -23.7241
8 C8y C 26.0951 -18.1717
9 C8y C 27.4994 -18.1717
10 C8x C 28.2017 -16.9556
11 C8x C 27.4994 -15.7394
12 C8x C 26.0951 -15.7394
13 C8x C 25.3931 -16.9556
14 C8y C 25.8098 -19.5410
15 C8x C 27.0172 -20.2391
16 N4x N 28.0542 -19.3064
17 N1a N 23.3930 -22.3490
18 C1c C 24.6058 -21.6470
19 C5a C 25.8185 -22.3421
20 N1b N 27.0315 -21.6400
21 C1c C 28.2442 -22.3350
22 C5a C 29.4570 -21.6329
23 N1b N 30.6698 -22.3279
24 C1c C 31.8826 -21.6257
25 C5a C 33.0954 -22.3209
26 N1b N 34.3081 -21.6187
27 C1c C 35.5210 -22.3137
28 C5a C 36.7337 -21.6116
29 C1b C 24.6688 -20.2427
30 O5a O 25.8115 -23.7464
31 C1b C 28.2372 -23.7392
32 C1b C 31.8756 -20.2214
33 O5a O 29.4500 -20.2285
34 O5a O 33.0884 -23.7251
35 C1b C 35.5140 -23.7179
36 N1a N 37.9466 -22.3137
37 C6a C 33.0884 -19.5192
38 O6a O 34.3011 -20.2144
39 O6a O 33.0813 -18.1148
40 S2a S 29.4456 -25.8458
41 C1a C 30.6596 -26.5516
42 O5a O 36.7338 -20.2060
BOND 44
1 22 23 1
2 2 3 2
3 23 24 1
4 14 15 2
5 24 25 1
6 15 16 1
7 25 26 1
8 16 9 1
9 26 27 1
10 8 14 1
11 27 28 1
12 3 4 1
13 4 5 2
14 5 6 1
15 18 29 1 #Up
16 19 30 2
17 6 7 2
18 21 31 1 #Down
19 24 32 1 #Up
20 8 9 2
21 22 33 2
22 25 34 2
23 9 10 1
24 27 35 1 #Down
25 10 11 2
26 28 36 1
27 29 14 1
28 31 1 1
29 17 18 1
30 32 37 1
31 11 12 1
32 37 38 2
33 35 2 1
34 18 19 1
35 37 39 1
36 12 13 2
37 1 40 1
38 19 20 1
39 40 41 1
40 13 8 1
41 20 21 1
42 7 2 1
43 21 22 1
44 28 42 2
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