ATOM 43
1 C8y C 21.5222 -20.4756
2 C1b C 20.2486 -21.0271
3 N4x N 21.6197 -19.0791
4 C8y C 22.8876 -20.9965
5 C8y C 18.9377 -20.5008
6 C8y C 22.9726 -18.7619
7 C8y C 23.7139 -19.9371
8 C8y C 17.7014 -21.1249
9 N4x N 18.7165 -19.1165
10 C2y C 23.4749 -17.5122
11 N1x N 18.6193 -16.1222
12 C8y C 16.7087 -20.1996
13 C8y C 17.3588 -18.8893
14 C2y C 22.9606 -16.2567
15 C5x C 18.7971 -14.7379
16 C1y C 17.2350 -16.3671
17 C1b C 16.7942 -17.6591
18 C1y C 23.5915 -14.9948
19 N1x N 21.5824 -16.0488
20 C2y C 17.5355 -14.1513
21 C6a C 20.2706 -13.7090
22 C2y C 16.5740 -15.1487
23 C1y C 22.6001 -14.0339
24 C1y C 21.3564 -14.6839
25 C1a C 17.5234 -12.7359
26 C2b C 15.1719 -15.1487
27 C1a C 22.5809 -12.6254
28 C1b C 24.9746 -14.7625
29 C1b C 25.9170 -15.9072
30 C1b C 17.6448 -22.5103
31 C1a C 16.4180 -23.1465
32 C1a C 15.2302 -20.2676
33 O6a O 20.2706 -12.2974
34 O5x O 20.1309 -14.5894
35 C2a C 14.4890 -13.9662
36 C1a C 23.2606 -22.3345
37 C5x C 25.0440 -19.0275
38 C1x C 24.7566 -17.5122
39 O5x O 26.3395 -19.5627
40 C6a C 27.2699 -15.6811
41 O6a O 18.9191 -13.6967
42 O6a O 28.1714 -16.7758
43 O6a O 27.7644 -14.3593
BOND 47
1 14 18 1
2 14 19 1
3 15 20 1
4 16 22 1
5 18 23 1
6 19 24 1
7 20 25 1
8 22 26 1
9 23 27 1 #Up
10 6 7 2
11 12 13 2
12 16 17 1
13 20 22 2
14 24 21 1 #Down
15 23 24 1
16 18 28 1 #Down
17 28 29 1
18 1 2 1
19 1 3 1
20 8 30 1
21 1 4 2
22 30 31 1
23 2 5 1
24 3 6 1
25 4 7 1
26 5 8 2
27 12 32 1
28 5 9 1
29 6 10 1
30 8 12 1
31 9 13 1
32 10 14 2
33 11 15 1
34 11 16 1
35 13 17 1
36 21 33 2
37 15 34 2
38 26 35 2
39 4 36 1
40 7 37 1
41 10 38 1
42 37 38 1
43 37 39 2
44 29 40 1
45 21 41 1
46 40 42 1
47 40 43 2
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