ATOM 27
1 C1x C 19.6627 -15.9519
2 C1z C 19.6627 -17.3511
3 C1y C 20.8745 -18.0508
4 C1y C 22.0863 -17.3511
5 C1y C 22.0863 -15.9519
6 C1x C 20.8745 -15.2522
7 C1y C 23.2981 -18.0508
8 C1x C 24.5099 -17.3511
9 C1x C 24.5099 -15.9519
10 C1z C 23.2981 -15.2522
11 N3a N 24.2876 -14.2629 #+
12 C1a C 22.9360 -13.9007
13 O1a O 18.4510 -16.6515
14 C1a C 18.6733 -18.3405
15 C3a C 25.2770 -13.2735 #-
16 N3a N 20.8745 -19.4498 #+
17 C3a C 20.8745 -20.8491 #-
18 C1z C 23.3708 -19.4500
19 C1x C 23.3708 -20.8493
20 C1x C 24.5825 -21.5489
21 C1y C 25.7944 -20.8493
22 C1z C 25.7944 -19.4500
23 O2x O 24.5825 -18.7504
24 C1a C 22.3814 -20.4394
25 C1a C 26.7838 -18.4607
26 C1a C 27.1460 -19.8121
27 X Cl 27.0249 -21.5599
BOND 29
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 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 10 11 1 #Down
13 10 12 1 #Up
14 2 13 1 #Up
15 2 14 1 #Down
16 11 15 3
17 3 16 1 #Down
18 16 17 3
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 18 23 1
25 7 18 1 #Up
26 18 24 1 #Down
27 22 25 1 #Down
28 22 26 1 #Up
29 21 27 1 #Down
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