ATOM 27
1 C8x C 21.7126 -13.7068
2 C8y C 21.7126 -15.1111
3 C8y C 22.9286 -15.8132
4 C8x C 24.1448 -15.1111
5 C8x C 24.1448 -13.7068
6 C8x C 22.9286 -13.0047
7 C1b C 20.4965 -15.8132
8 O2a O 19.2803 -15.1111
9 C8y C 18.0642 -15.8132
10 N5x N 16.9152 -15.0020
11 N4y N 15.7882 -15.8439
12 C8x C 16.2406 -17.1759
13 C8x C 17.6472 -17.1573
14 N1c N 22.9286 -17.2173
15 O2a O 21.6957 -17.9292
16 C7a C 24.1279 -17.9098
17 O7a O 25.3187 -17.2223
18 C1a C 26.5137 -17.9124
19 O6a O 24.1280 -19.3235
20 C1a C 20.4881 -17.2320
21 C8y C 14.5758 -15.1439
22 C8x C 14.5760 -13.7201
23 C8x C 13.3637 -13.0199
24 C8y C 12.1512 -13.7196
25 C8x C 12.1509 -15.1434
26 C8x C 13.3632 -15.8437
27 X Cl 10.9608 -13.0318
BOND 29
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 1
13 12 13 2
14 9 13 1
15 3 14 1
16 14 15 1
17 14 16 1
18 16 17 1
19 17 18 1
20 16 19 2
21 15 20 1
22 11 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 21 26 1
29 24 27 1
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