ATOM 37
1 C8x C 21.1691 -18.9028
2 C8x C 21.1520 -20.3079
3 C8x C 22.3641 -21.0288
4 C8x C 22.3985 -18.2186
5 C8y C 23.6036 -18.9325
6 C8y C 23.5804 -20.3409
7 N4x N 24.9133 -20.8031
8 C8y C 24.9504 -18.5213
9 C8y C 25.7483 -19.6758
10 C1x C 26.9447 -17.2025
11 C1x C 25.5452 -17.2498
12 N1y N 27.7496 -18.2869
13 C1y C 27.0744 -19.6926
14 C1x C 27.9422 -20.7068
15 C1x C 29.1457 -18.2458
16 C1y C 29.9364 -19.3300
17 C1y C 29.3384 -20.7294
18 C2y C 30.1239 -21.7333
19 C2x C 31.5144 -21.6952
20 C1z C 31.3269 -19.2919
21 N1y N 32.1165 -20.3674
22 C1x C 33.3669 -20.4025
23 C1x C 34.1076 -19.0050
24 C8y C 31.9347 -17.9644
25 C8y C 33.3269 -18.0011
26 N4x N 31.4013 -16.6720
27 C8y C 32.4682 -15.7672
28 C8y C 33.6558 -16.5058
29 C8x C 34.8865 -15.8421
30 C8x C 34.8598 -14.4470
31 C8x C 33.7423 -13.7154
32 C8x C 32.5114 -14.3721
33 C1a C 29.8519 -18.0461
34 C7a C 29.5166 -22.9918
35 O7a O 30.3108 -24.1510
36 C1a C 29.7036 -25.4137
37 O6a O 28.1153 -22.9560
BOND 44
1 17 18 1
2 18 19 2
3 19 21 1
4 20 16 1
5 4 1 2
6 8 9 2
7 9 13 1
8 20 21 1
9 21 22 1
10 22 23 1
11 23 25 1
12 24 20 1
13 12 10 1
14 10 11 1
15 11 8 1
16 24 25 2
17 25 28 1
18 27 26 1
19 26 24 1
20 1 2 1
21 2 3 2
22 5 6 2
23 6 7 1
24 12 13 1
25 13 14 1
26 27 28 2
27 28 29 1
28 29 30 2
29 30 31 1
30 31 32 2
31 32 27 1
32 14 17 1
33 20 33 1 #Up
34 16 15 1
35 15 12 1
36 7 9 1
37 8 5 1
38 18 34 1
39 3 6 1
40 34 35 1
41 5 4 1
42 35 36 1
43 16 17 1
44 34 37 2
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