ATOM 19
1 C8x C 18.8792 -17.3472
2 C8x C 18.8792 -18.7460
3 C8x C 20.0906 -19.4455
4 C8y C 21.3021 -18.7460
5 C8x C 21.3021 -17.3472
6 C8x C 20.0906 -16.6477
7 N1b N 22.5323 -19.4564
8 C5a C 23.7365 -18.7613
9 C8y C 24.9179 -19.4436
10 C8y C 24.9178 -20.8442
11 C8x C 26.1292 -21.5438
12 C8x C 27.3408 -20.8444
13 C8y C 27.3409 -19.4438
14 C8x C 26.1294 -18.7442
15 X Cl 23.6887 -21.5538
16 N2b N 28.5529 -18.7442 #+
17 O3a O 29.7489 -19.4351 #-
18 O5a O 23.7360 -17.3354
19 O3a O 28.5534 -17.3355
BOND 20
1 1 2 1
2 2 3 2
3 4 5 2
4 5 6 1
5 1 6 2
6 4 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 9 14 2
15 10 15 1
16 13 16 1
17 16 17 1
18 8 18 2
19 16 19 2
20 3 4 1
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