ATOM 48
1 C1y C 17.0106 -16.2369
2 N1y N 18.4020 -16.2429
3 C1y C 16.6439 -17.5814
4 C7a C 15.7999 -15.5441
5 C5a C 19.6069 -15.4628
6 C1x C 18.8967 -17.4709
7 C1x C 17.8140 -18.3498
8 S4a S 15.4274 -18.2800
9 O7a O 14.5892 -16.2369
10 O6a O 15.7942 -14.1413
11 C8y C 20.8119 -16.1729
12 O5a O 19.6011 -14.0657
13 C1b C 15.4274 -19.6713
14 O3c O 14.2107 -18.9669
15 O3c O 15.4915 -16.8771
16 C1c C 13.3900 -15.5441
17 N5x N 21.9761 -15.4103
18 C8x C 21.1669 -17.5874
19 C1b C 14.2166 -20.3582
20 C1c C 13.3900 -14.1472
21 C1c C 12.1792 -16.2310
22 C8y C 23.0531 -16.2891
23 O2x O 22.5583 -17.5873
24 N1c N 14.2166 -21.7551
25 C2b C 14.5892 -13.4544
26 C1a C 12.3887 -13.1517
27 C1a C 12.1733 -17.6339
28 C1a C 10.9626 -15.5324
29 C1b C 24.5315 -15.7246
30 C1b C 13.0058 -22.4537
31 C1b C 15.4333 -22.4363
32 C2b C 14.5892 -12.0632
33 C5a C 24.8867 -14.3741
34 C1a C 11.8008 -21.7551
35 C1a C 16.6382 -21.7320
36 C5a C 15.7999 -11.3647
37 C1b C 23.9029 -13.3845
38 O5a O 26.2372 -14.0016
39 N1b N 17.0106 -12.0516
40 O5a O 15.7942 -9.9617
41 C1c C 24.2638 -12.0340
42 C1b C 18.2215 -11.3588
43 C2b C 23.0531 -11.3414
44 O1a O 25.5561 -11.4986
45 C2b C 19.4322 -12.0457
46 C2c C 21.8481 -12.0399
47 C2b C 20.6372 -11.3531
48 C1a C 21.8422 -13.4371
BOND 50
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 2
12 8 13 1
13 8 14 2
14 8 15 2
15 9 16 1
16 11 17 1
17 11 18 2
18 13 19 1
19 16 20 1
20 16 21 1 #Down
21 17 22 2
22 18 23 1
23 19 24 1
24 20 25 1
25 20 26 1 #Down
26 21 27 1
27 21 28 1
28 22 29 1
29 24 30 1
30 24 31 1
31 25 32 2
32 29 33 1
33 30 34 1
34 31 35 1
35 32 36 1
36 33 37 1
37 33 38 2
38 36 39 1
39 36 40 2
40 37 41 1
41 39 42 1
42 41 43 1
43 41 44 1 #Up
44 42 45 1
45 43 46 2
46 45 47 2
47 46 48 1
48 6 7 1
49 22 23 1
50 46 47 1
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