ATOM 30
1 C8x C 15.0671 -19.1527
2 C8x C 15.0671 -20.5415
3 C8x C 16.2477 -21.2359
4 C8x C 17.4284 -20.5415
5 C8y C 17.4284 -19.1527
6 C8x C 16.2477 -18.4582
7 C1d C 18.6783 -18.4582
8 C8y C 19.8589 -19.1527
9 C1b C 17.4284 -17.7637
10 O1a O 19.8589 -17.7637
11 C8x C 19.8589 -20.5415
12 C8x C 21.0396 -21.2359
13 C8y C 22.2894 -20.5415
14 C8x C 22.2894 -19.1527
15 C8x C 21.0396 -18.4582
16 C8y C 17.4110 -16.3476
17 O2a O 23.4968 -21.2519
18 C1b C 24.7071 -20.5663
19 C8x C 18.6068 -15.6378
20 C8x C 18.5897 -14.2403
21 C8y C 17.3712 -13.5564
22 C8x C 16.1058 -14.2662
23 C8x C 16.1228 -15.6636
24 C1b C 25.9238 -21.2825
25 N1c N 27.1316 -20.5989
26 C1b C 28.3287 -21.3039
27 C1a C 29.5237 -20.6276
28 X Cl 17.3548 -12.1466
29 C1b C 27.1437 -19.1669
30 C1a C 28.3594 -18.4785
BOND 32
1 2 3 1
2 7 8 1
3 3 4 2
4 7 9 1
5 4 5 1
6 7 10 1
7 5 6 2
8 6 1 1
9 1 2 2
10 8 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 15 8 1
16 5 7 1
17 9 16 1
18 13 17 1
19 17 18 1
20 16 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 16 23 1
26 18 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 21 28 1
31 25 29 1
32 29 30 1
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