ATOM 45
1 N1b N 32.2911 -20.2442
2 C1c C 33.4995 -20.9427
3 C5a C 34.7086 -20.2457
4 N1a N 35.9169 -20.9443
5 O5a O 34.7093 -18.8500
6 C1b C 33.4987 -22.3384
7 C8y C 34.7069 -23.0371
8 C8x C 35.9109 -22.3418
9 C8x C 37.1192 -23.0403
10 C8x C 37.1185 -24.4360
11 C8x C 35.9094 -25.1332
12 C8x C 34.7010 -24.4347
13 C5a C 31.0656 -20.9329
14 O5a O 31.0587 -22.3356
15 C1c C 29.8462 -20.2351
16 C1b C 29.8443 -18.8323
17 C1b C 31.0592 -18.1258
18 C1b C 31.0575 -16.7230
19 N1b N 28.6393 -20.9360
20 C5a C 27.4199 -20.2451
21 O5a O 27.4129 -18.8424
22 C1c C 26.2004 -20.9429
23 N1b N 24.9856 -20.2435
24 C1b C 26.1986 -22.3457
25 C1b C 27.4134 -23.0522
26 C1b C 27.4117 -24.4550
27 C5a C 23.7662 -20.9344
28 O5a O 23.8292 -22.3371
29 C1c C 22.5468 -20.2366
30 N1b N 21.3319 -20.9360
31 C1b C 22.5449 -18.8338
32 C8y C 23.7598 -18.1273
33 C5a C 20.1240 -20.2366
34 C1a C 18.9146 -20.9329
35 O5a O 20.0559 -18.8409
36 C8x C 24.9734 -18.8236
37 C8x C 26.1883 -18.1172
38 C8x C 26.1839 -16.7118
39 C8x C 24.9646 -16.0130
40 C8x C 23.7498 -16.7194
41 C1a C 28.6197 -25.1542
42 N1b N 32.2654 -16.0236
43 C2c C 32.2637 -14.6279
44 N1a N 33.4716 -13.9286
45 N2a N 31.0541 -13.9316
BOND 46
1 3 4 1
2 22 23 1
3 20 22 1
4 19 20 1
5 22 24 1
6 24 25 1
7 25 26 1
8 20 21 2
9 3 5 2
10 2 3 1
11 2 6 1
12 7 8 2
13 13 15 1
14 1 13 1
15 15 16 1
16 29 30 1
17 27 29 1
18 23 27 1
19 29 31 1
20 31 32 1
21 27 28 2
22 16 17 1
23 30 33 1
24 17 18 1
25 33 34 1
26 33 35 2
27 13 14 2
28 8 9 1
29 15 19 1
30 9 10 2
31 32 36 2
32 36 37 1
33 37 38 2
34 38 39 1
35 39 40 2
36 40 32 1
37 10 11 1
38 26 41 1
39 11 12 2
40 18 42 1
41 12 7 1
42 42 43 1
43 1 2 1
44 43 44 1
45 6 7 1
46 43 45 2
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