ATOM 30
1 C8x C 25.5127 -14.9550
2 C8y C 25.5127 -16.3546
3 C8y C 26.7277 -17.0543
4 C8x C 26.7277 -14.2552
5 C8y C 27.9356 -14.9550
6 N4y N 27.9294 -16.3546
7 C1x C 29.1385 -17.0596
8 C1y C 30.3537 -16.3649
9 C1x C 30.3596 -14.9653
10 C1y C 29.1506 -14.2604
11 C1x C 30.3546 -13.5484
12 N1y N 31.5704 -14.2340
13 C1x C 31.5563 -15.6548
14 O5x O 26.7143 -18.4539
15 C1a C 32.7791 -13.5272
16 C1x C 23.1147 -20.5676
17 C1y C 25.5328 -19.1576
18 C1x C 25.5388 -20.5572
19 C1y C 24.3297 -21.2621
20 C1x C 25.5339 -21.9741
21 N1y N 26.7496 -21.2886
22 C1x C 26.7355 -19.8678
23 C1a C 27.9583 -21.9953
24 N1y N 23.1123 -19.1741
25 C2y C 24.3178 -18.4629
26 C2y C 24.3046 -17.0635
27 C1x C 23.0860 -16.3751
28 C1x C 21.8805 -17.0862
29 C5x C 21.8937 -18.4858
30 O5x O 20.6777 -19.1749
BOND 35
1 3 14 2
2 5 4 2
3 12 15 1
4 4 1 1
5 5 6 1
6 6 7 1
7 7 8 1
8 16 24 1
9 25 17 1
10 17 18 1 #Down
11 19 18 1 #Down
12 19 16 1
13 8 9 1 #Down
14 19 20 1
15 17 22 1
16 20 21 1
17 10 9 1 #Down
18 10 5 1
19 21 22 1
20 21 23 1
21 10 11 1
22 8 13 1
23 11 12 1
24 1 2 2
25 2 3 1
26 12 13 1
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 1
31 28 29 1
32 29 24 1
33 3 6 1
34 29 30 2
35 26 2 1
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