ATOM 22
1 N4y N 20.3495 -20.4754
2 N5x N 20.8119 -21.7968
3 C8x C 22.2115 -21.7655
4 C8y C 22.6142 -20.4246
5 C8x C 21.4634 -19.6273
6 O2b O 23.8224 -19.7400
7 P1b P 25.0349 -20.4400
8 S2a S 26.2473 -21.1400
9 O3b O 25.8049 -19.1576
10 O2b O 24.3414 -21.6415
11 C1b C 25.0411 -22.8532
12 C1a C 26.4596 -22.8535
13 C1b C 27.4618 -20.4388
14 C1b C 28.6583 -21.1298
15 C1a C 29.8451 -20.4446
16 C8y C 19.1576 -19.8100
17 C8x C 19.2074 -18.4106
18 C8x C 17.9150 -17.7282
19 C8y C 16.7128 -18.4456
20 C8x C 16.7330 -19.8450
21 C8x C 17.9554 -20.5274
22 X Cl 15.5180 -17.7792
BOND 23
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 1 5 1
6 4 6 1
7 6 7 1
8 7 8 1
9 7 9 2
10 7 10 1
11 10 11 1
12 11 12 1
13 8 13 1
14 13 14 1
15 14 15 1
16 1 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 16 21 1
23 19 22 1
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