ATOM 40
1 N1b N 31.6605 -18.8481
2 C1c C 32.8688 -19.5465
3 C5a C 34.0777 -18.8496
4 N1a N 35.2858 -19.5480
5 O5a O 34.0784 -17.4541
6 C1b C 32.8679 -20.9420
7 C8y C 34.0760 -21.6406
8 C8x C 35.2799 -20.9454
9 C8x C 36.4880 -21.6438
10 C8y C 36.4873 -23.0393
11 C8x C 35.2784 -23.7364
12 C8x C 34.0701 -23.0380
13 O1a O 37.6954 -23.7378
14 C5a C 30.4352 -19.5367
15 O5a O 30.4282 -20.9391
16 C1c C 29.2159 -18.8389
17 C1b C 29.2141 -17.4363
18 C1c C 30.4288 -16.7300
19 C1a C 30.4271 -15.3273
20 C1a C 31.6453 -17.4333
21 N1b N 28.0092 -19.5397
22 C5a C 26.7900 -18.8489
23 O5a O 26.7830 -17.4465
24 C1c C 25.5707 -19.5467
25 N1b N 24.3560 -18.8474
26 C1b C 25.5688 -20.9493
27 C1c C 26.7835 -21.6557
28 C1a C 26.7818 -23.0583
29 C1a C 28.0001 -20.9523
30 C5a C 23.1368 -19.5382
31 O5a O 23.1998 -20.9407
32 C1c C 21.9175 -18.8405
33 N1b N 20.7028 -19.5397
34 C1b C 21.9157 -17.4379
35 C1c C 23.1303 -16.7315
36 C1a C 23.1286 -15.3289
37 C1a C 24.3469 -17.4348
38 C5a C 19.4951 -18.8405
39 C1a C 18.2858 -19.5367
40 O5a O 19.4969 -17.4450
BOND 40
1 14 15 2
2 8 9 1
3 16 21 1
4 9 10 2
5 10 11 1
6 11 12 2
7 12 7 1
8 1 2 1
9 10 13 1
10 6 7 1
11 3 4 1
12 24 25 1
13 22 24 1
14 21 22 1
15 24 26 1
16 26 27 1
17 27 28 1
18 27 29 1
19 22 23 2
20 3 5 2
21 2 3 1
22 2 6 1
23 7 8 2
24 14 16 1
25 1 14 1
26 16 17 1
27 32 33 1
28 30 32 1
29 25 30 1
30 32 34 1
31 34 35 1
32 35 36 1
33 35 37 1
34 30 31 2
35 17 18 1
36 33 38 1
37 18 19 1
38 38 39 1
39 18 20 1
40 38 40 2
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