ATOM 20
1 C8x C 12.7400 -18.1300
2 C8x C 12.7400 -19.5300
3 C8x C 13.9524 -20.2300
4 C8x C 15.1649 -19.5300
5 C8y C 15.1649 -18.1300
6 C8y C 13.9524 -17.4300
7 N1a N 16.3960 -17.4190
8 C7a C 13.9524 -16.0302
9 O6a O 12.7232 -15.3203
10 O7a O 15.1480 -15.3398
11 C1y C 15.1482 -13.9303
12 C1y C 16.3395 -13.2424
13 C1x C 16.3394 -11.8424
14 C1x C 15.1269 -11.1425
15 C1y C 13.9356 -11.8304
16 C1x C 13.9357 -13.2304
17 C1c C 17.5244 -13.9265
18 C1a C 12.7188 -11.1279
19 C1a C 18.7169 -13.2379
20 C1a C 17.5246 -15.3298
BOND 21
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 5 7 1
8 6 8 1
9 8 9 2
10 8 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 11 16 1
18 12 17 1
19 15 18 1
20 17 19 1
21 17 20 1
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