ATOM 23
1 C1x C 41.6952 -9.6373
2 C8y C 40.8508 -8.5247
3 C8y C 41.1869 -7.1642
4 C1y C 42.4514 -6.5845
5 C1x C 43.1048 -9.6626
6 C8y C 43.7083 -7.2085
7 C8y C 43.9956 -8.5810
8 C8x C 40.1770 -6.1931
9 C8x C 38.8314 -6.5823
10 C8x C 38.4953 -7.9428
11 C8x C 39.5051 -8.9136
12 C8x C 45.3304 -9.0193
13 C8x C 46.3775 -8.0823
14 C8x C 46.0904 -6.7098
15 C8y C 44.7553 -6.2715
16 C1x C 42.4031 -5.2058
17 N1y N 43.6304 -4.5228
18 C1y C 44.8020 -5.2242
19 C1x C 46.0275 -4.5423
20 C1x C 46.0496 -3.1703
21 C1x C 43.5817 -3.1506
22 C1x C 44.7890 -2.3951
23 X Cl 49.3526 -7.8029
BOND 26
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 7 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 6 15 2
18 4 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 18 15 1
24 17 21 1
25 21 22 1
26 22 20 1
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