ATOM 28
1 C1c C 22.5877 -17.5426
2 N1c N 23.7755 -16.8439
3 C1b C 25.0332 -17.5426
4 C1b C 26.2211 -16.8439
5 C1d C 27.4089 -17.5426
6 C1b C 28.6666 -16.8439
7 C1b C 29.8545 -17.5426
8 C8y C 27.4089 -18.9401
9 C8x C 28.5968 -21.0362
10 C8y C 28.5968 -19.6388
11 C8x C 26.1512 -19.6388
12 C8x C 26.1512 -21.0362
13 C8x C 27.4089 -21.7350
14 N1y N 31.0423 -16.8439
15 C1x C 31.0423 -15.4464
16 C1x C 32.2302 -17.5426
17 C1x C 33.4879 -16.8439
18 C1x C 33.4879 -15.4464
19 C1x C 32.2302 -14.7477
20 C5a C 27.4089 -16.1451
21 C5a C 23.8283 -15.4465
22 C1a C 22.6226 -14.7700
23 O5a O 25.0425 -14.7253
24 C1a C 21.3718 -16.8537
25 C1a C 22.5990 -18.9401
26 X Cl 29.8099 -18.9449
27 N1a N 28.6333 -15.4378
28 O5a O 26.2304 -15.4651
BOND 29
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 5 8 1
8 9 10 2
9 10 8 1
10 8 11 2
11 11 12 1
12 12 13 2
13 9 13 1
14 7 14 1
15 15 14 1
16 14 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 15 19 1
21 5 20 1
22 2 21 1
23 21 22 1
24 21 23 2
25 1 24 1
26 1 25 1
27 10 26 1
28 20 27 1
29 20 28 2
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