ATOM 26
1 P1b P 19.9450 -9.7265
2 O1c O 19.9450 -8.3268
3 O1c O 18.5453 -9.7265
4 O1c O 21.3448 -9.7265
5 O1c O 19.9450 -11.1262
6 C8x C 7.4200 -9.6600
7 C8x C 7.4200 -11.0600
8 C8x C 8.6324 -11.7600
9 C8y C 9.8449 -11.0600
10 C8y C 9.8449 -9.6600
11 C8x C 8.6324 -8.9600
12 N1x N 11.0573 -11.7600
13 C8y C 12.2697 -11.0600
14 C8y C 12.2697 -9.6600
15 C1y C 11.0573 -8.9600
16 C8x C 13.4822 -11.7600
17 C8x C 14.6946 -11.0600
18 C8y C 14.6946 -9.6600
19 C8x C 13.4822 -8.9600
20 C1b C 11.0573 -7.5600
21 C1b C 12.2718 -6.8588
22 C1b C 13.4683 -7.5498
23 X Cl 15.9111 -8.9577
24 N1c N 14.6551 -6.8646
25 C1a C 14.6553 -5.4602
26 C1a C 15.8466 -7.5528
BOND 27
1 1 2 2
2 1 3 1
3 1 4 1
4 1 5 1
5 6 7 2
6 7 8 1
7 8 9 2
8 9 10 1
9 10 11 2
10 6 11 1
11 9 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 10 15 1
16 13 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 14 19 2
21 15 20 1
22 20 21 1
23 21 22 1
24 18 23 1
25 22 24 1
26 24 25 1
27 24 26 1
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