ATOM 21
1 C8y C 21.4748 -15.8597
2 C8y C 21.4748 -14.4689
3 N5y N 22.6970 -16.5581 #+
4 C8x C 20.2701 -16.5640
5 N5x N 22.6853 -13.7646
6 C8x C 20.2701 -13.7822
7 C8y C 23.8431 -15.8656
8 C1a C 22.6911 -17.9489
9 C8x C 19.0713 -15.8597
10 C8y C 23.9016 -14.4573
11 C8x C 19.0713 -14.4689
12 C8x C 25.1470 -16.5640
13 C8x C 25.1178 -13.7413
14 C8x C 26.2990 -15.8597
15 C8x C 26.3517 -14.4340
16 S4a S 30.9201 -15.6910
17 O2a O 29.5407 -15.6910
18 O1d O 30.9142 -14.0789
19 O1d O 30.9142 -17.0411
20 O1d O 32.2004 -15.6910 #-
21 C1a C 28.3652 -15.0159
BOND 22
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 10 13 1
13 12 14 2
14 13 15 2
15 7 10 2
16 9 11 1
17 14 15 1
18 16 17 1
19 16 18 2
20 16 19 2
21 16 20 1
22 17 21 1
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