ATOM 22
1 C1x C 22.8788 -17.5814
2 C1x C 22.8788 -18.9825
3 C1x C 24.0920 -19.6830
4 C8y C 25.3055 -18.9825
5 N4y N 25.3055 -17.5814
6 C1x C 24.0920 -16.8809
7 C8y C 26.6380 -19.4154
8 C8y C 27.4615 -18.2820
9 N5x N 26.6380 -17.1484
10 X Cl 27.0694 -20.7432
11 N4y N 28.8333 -18.2820
12 N5x N 29.2911 -19.6061
13 C8x C 30.6919 -19.5799
14 C8y C 31.0999 -18.2396
15 C8y C 29.9512 -17.4373
16 N1c N 29.9250 -16.0405
17 C1a C 28.7212 -15.3747
18 C1b C 31.1465 -15.3045
19 C3b C 32.3569 -15.9729
20 C3b C 32.4800 -17.9965
21 N3a N 33.8333 -17.8441
22 C3a C 33.5702 -16.6734
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 7 8 1
9 8 9 2
10 5 9 1
11 7 10 1
12 8 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 11 15 1
18 15 16 1
19 16 17 1
20 16 18 1
21 18 19 1
22 14 20 1
23 20 21 3
24 19 22 3
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