ATOM 21
1 C1x C 13.4555 -18.3413
2 C1x C 13.4555 -19.7502
3 C1x C 14.6756 -20.4546
4 C2y C 15.8957 -19.7502
5 C2y C 15.8957 -18.3413
6 C1z C 14.6756 -17.6369
7 C1a C 17.1158 -20.4546
8 C2b C 18.3359 -18.3413
9 C2b C 17.1158 -17.6369
10 C2c C 19.5411 -17.6454
11 C2b C 20.7369 -18.3358
12 C1a C 15.8957 -16.9324
13 C1a C 13.4555 -16.9324
14 C2b C 21.9353 -17.6438
15 C1a C 19.5412 -16.2284
16 C2b C 23.1324 -18.3350
17 C2c C 24.3300 -17.6434
18 C2b C 25.5277 -18.3348
19 C1b C 26.7251 -17.6432
20 O1a O 27.9228 -18.3348
21 C1a C 24.3301 -16.2283
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 8 9 2
9 5 9 1
10 8 10 1
11 10 11 2
12 6 12 1
13 6 13 1
14 11 14 1
15 10 15 1
16 14 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 1
21 17 21 1
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