ATOM 29
1 C8x C 23.1673 -17.1470
2 C8y C 23.1673 -18.5467
3 C8x C 24.3795 -19.2466
4 C8x C 25.5918 -18.5467
5 C8y C 25.5918 -17.1470
6 C8x C 24.3795 -16.4471
7 X F 21.9551 -19.2466
8 C5a C 26.8290 -16.4471
9 N1b N 28.0413 -17.1470
10 C1b C 29.2535 -16.4471
11 C1b C 30.4657 -17.1470
12 N1y N 31.6779 -16.4471
13 C1x C 32.9108 -17.1592
14 C1x C 34.1232 -16.4595
15 C1y C 34.1234 -15.0598
16 C1x C 32.8905 -14.3477
17 C1x C 31.6781 -15.0474
18 N4y N 35.3650 -14.3431
19 C8y C 36.6858 -14.7493
20 C8y C 37.4822 -13.6182
21 N4x N 36.6526 -12.5112
22 C8y C 35.3435 -12.9582
23 O5x O 34.1731 -12.1342
24 O5a O 26.8352 -15.0477
25 C8x C 38.8822 -13.6182
26 C8y C 39.5879 -14.8398
27 X Cl 41.0200 -14.8394
28 C8x C 38.8965 -16.0386
29 C8x C 37.4965 -16.0386
BOND 32
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 12 17 1
19 15 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 1
24 18 22 1
25 22 23 2
26 8 24 2
27 20 25 1
28 25 26 2
29 26 27 1
30 26 28 1
31 28 29 2
32 29 19 1
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