ATOM 21
1 C7a C 30.5188 -20.4659
2 O7a O 31.7311 -19.7660
3 C1z C 29.3065 -19.7660
4 O6a O 30.5188 -21.8657
5 C1b C 32.9432 -20.4659
6 C1a C 34.1555 -19.7660
7 O7x O 29.7451 -18.4361
8 C7x C 28.6094 -17.6102
9 N1y N 27.4740 -18.4361
10 C5x C 27.9095 -19.7665
11 C8x C 23.8379 -16.3373
12 C8y C 23.8379 -17.7371
13 C8x C 25.0531 -18.4370
14 C8y C 26.2612 -17.7371
15 C8x C 26.2612 -16.3373
16 C8y C 25.0531 -15.6374
17 X Cl 25.0548 -14.2376
18 X Cl 22.6260 -18.4376
19 O6a O 28.6094 -16.2104
20 O5x O 27.0880 -20.8999
21 C1a C 28.7832 -21.0643
BOND 22
1 1 3 1
2 5 6 1
3 1 2 1
4 1 4 2
5 2 5 1
6 11 12 1
7 12 13 2
8 13 14 1
9 14 15 2
10 15 16 1
11 16 11 2
12 3 7 1
13 16 17 1
14 7 8 1
15 12 18 1
16 14 9 1
17 8 9 1
18 8 19 2
19 9 10 1
20 10 20 2
21 10 3 1
22 3 21 1
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