ATOM 28
1 C8x C 26.9059 -21.4759
2 C8x C 26.9059 -20.1118
3 C8y C 28.0856 -19.4261
4 C8x C 29.2581 -20.1118
5 C8x C 29.2581 -21.4759
6 C8y C 28.0856 -22.1543
7 C8x C 24.5025 -17.3809
8 C8y C 24.5025 -16.0169
9 C8x C 25.6821 -15.3310
10 C8x C 25.6821 -18.0593
11 C8y C 26.8617 -17.3809
12 C8y C 26.8557 -16.0169
13 O2x O 28.0295 -15.3257
14 C8y C 28.0415 -18.0541
15 C8y C 29.2153 -17.3706
16 C8y C 29.2025 -16.0101
17 C8x C 30.3768 -15.3152
18 C8y C 31.5638 -15.9882
19 C8x C 31.5765 -17.3487
20 C8x C 30.4021 -18.0361
21 N2b N 32.7443 -15.3027 #+
22 N1c N 23.3011 -15.3380
23 C1a C 23.2880 -13.9455
24 C1a C 22.1026 -16.0487
25 C1a C 33.9510 -15.9994
26 C1a C 32.7407 -13.9101
27 C1b C 28.0873 -23.5469
28 X Cl 26.8831 -24.2411
BOND 31
1 16 17 2
2 17 18 1
3 18 19 1
4 19 20 2
5 20 15 1
6 14 3 1
7 9 12 1
8 11 10 1
9 10 7 2
10 3 4 1
11 4 5 2
12 5 6 1
13 18 21 2
14 6 1 2
15 11 12 2
16 12 13 1
17 8 22 1
18 13 16 1
19 15 14 2
20 14 11 1
21 22 23 1
22 1 2 1
23 22 24 1
24 2 3 2
25 21 25 1
26 7 8 1
27 21 26 1
28 8 9 2
29 6 27 1
30 15 16 1
31 27 28 1
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