ATOM 27
1 C1z C 27.1406 -17.0341
2 C1z C 28.3043 -17.7085
3 C1z C 27.4377 -15.7130
4 C1x C 25.9711 -17.7028
5 C1x C 28.2129 -16.3865
6 C2y C 28.3043 -19.0471
7 C1x C 29.3121 -16.8186
8 N1y N 30.4595 -17.7168
9 C1y C 28.7704 -15.5847
10 C1y C 27.7813 -14.4151
11 C5x C 26.0991 -15.7886
12 C5x C 25.9711 -19.0471
13 C1x C 30.4619 -16.3865
14 C2y C 27.1406 -19.7228
15 O2a O 29.4635 -19.7169
16 X Cl 29.4344 -14.4151
17 C2y C 26.6525 -13.6813
18 O1a O 28.7238 -13.4481
19 C2x C 25.6099 -14.5316
20 O5x O 25.1334 -16.7313
21 O5x O 24.8072 -19.7169
22 O2a O 27.1348 -21.0614
23 C1a C 29.4635 -21.0556
24 O2a O 26.6585 -12.3427
25 C1a C 28.2986 -21.7300
26 C1a C 25.4527 -11.7438
27 C1a C 31.5085 -18.7714
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 2 8 1 #Down
8 3 9 1
9 3 10 1 #Down
10 3 11 1 #Up
11 4 12 1
12 5 13 1
13 6 14 2
14 6 15 1
15 9 16 1 #Up
16 10 17 1
17 10 18 1 #Up
18 11 19 1
19 11 20 2
20 12 21 2
21 14 22 1
22 15 23 1
23 17 24 1
24 22 25 1
25 24 26 1
26 7 9 1
27 8 13 1
28 12 14 1
29 17 19 2
30 8 27 1
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