ATOM 23
1 C8y C 29.6797 -18.4908
2 C1c C 29.6854 -17.0941
3 C8y C 28.4642 -19.1796
4 C8x C 30.8891 -19.1855
5 C1b C 30.9008 -16.3922
6 O2a O 28.4759 -16.3805
7 C8x C 28.4582 -20.5764
8 X Cl 27.2546 -18.4791
9 C8x C 30.8833 -20.5881
10 N4y N 32.1102 -17.1058
11 C1b C 27.2605 -17.0824
12 C8y C 29.6680 -21.2900
13 C8x C 33.3959 -16.5443
14 C8x C 32.2506 -18.4965
15 C2b C 26.0509 -16.3747
16 X Cl 29.6620 -22.6867
17 C8x C 34.3260 -17.5784
18 N5x N 33.6181 -18.7949
19 C2a C 24.8368 -17.0705
20 N2b N 37.3274 -19.8662 #+
21 O1b O 36.1120 -20.5553
22 O3a O 37.3214 -18.4637
23 O3a O 38.5368 -20.5611 #-
BOND 23
1 3 7 1
2 3 8 1
3 4 9 2
4 5 10 1
5 6 11 1
6 7 12 2
7 10 13 1
8 10 14 1
9 11 15 1
10 12 16 1
11 13 17 2
12 14 18 2
13 9 12 1
14 17 18 1
15 15 19 2
16 1 2 1
17 1 3 2
18 1 4 1
19 2 5 1
20 2 6 1
21 20 21 1
22 20 22 2
23 20 23 1
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