ATOM 21
1 C8x C 25.0084 -26.2827
2 C8y C 25.0084 -27.6855
3 C8x C 26.2270 -28.3834
4 C8x C 26.2270 -25.5779
5 C8y C 27.4387 -26.2827
6 C8y C 27.4328 -27.6889
7 O7x O 28.7688 -28.1269
8 C8y C 29.5958 -26.9914
9 N4y N 28.7781 -25.8560
10 X Cl 23.7888 -28.3763
11 O6a O 30.9932 -26.9876
12 C1b C 28.7727 -24.4570
13 S2a S 29.9851 -23.7520
14 P1a P 31.1976 -24.4499
15 O2b O 32.4030 -23.7449
16 S0 S 29.9781 -25.1407
17 O2b O 31.1976 -25.8457
18 C1b C 32.4030 -26.5364
19 C1a C 33.6155 -25.8316
20 C1b C 32.4030 -22.3492
21 C1a C 31.1976 -21.6584
BOND 22
1 2 10 1
2 8 11 2
3 1 2 1
4 9 12 1
5 2 3 2
6 12 13 1
7 3 6 1
8 13 14 1
9 5 4 1
10 14 15 1
11 5 6 2
12 14 16 2
13 6 7 1
14 14 17 1
15 7 8 1
16 17 18 1
17 8 9 1
18 18 19 1
19 9 5 1
20 15 20 1
21 4 1 2
22 20 21 1
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