ATOM 36
1 C8y C 29.5827 -15.6501
2 C1c C 29.5886 -14.2558
3 C8y C 28.3684 -16.3415
4 C8x C 30.7912 -16.3474
5 C1b C 30.8026 -13.5586
6 O2a O 28.3800 -13.5470
7 C8x C 28.3626 -17.7358
8 X Cl 27.1601 -15.6386
9 C8x C 30.7854 -17.7474
10 N4y N 32.0113 -14.2675
11 C1b C 27.1657 -14.2441
12 C8y C 29.5710 -18.4446
13 C8x C 33.3470 -13.8469
14 C8x C 32.0081 -15.6652
15 C8y C 25.9574 -13.5411
16 X Cl 29.5653 -19.8390
17 N5y N 34.1593 -14.9707 #+
18 C8x C 33.3357 -16.1005
19 C8y C 24.7548 -14.2382
20 C8x C 25.9691 -12.1469
21 C8x C 23.5462 -13.5353
22 X Cl 24.7489 -15.6327
23 C8x C 24.7664 -11.4439
24 C8y C 23.5521 -12.1353
25 X Cl 22.3438 -11.4381
26 C1b C 35.5593 -14.9707
27 C5a C 36.2635 -16.1904
28 C8y C 37.6599 -16.1903
29 O5a O 35.5714 -17.3889
30 C8x C 38.3512 -17.3875
31 C8x C 39.7512 -17.3872
32 C8y C 40.4511 -16.1747
33 C8x C 39.7597 -14.9776
34 C8x C 38.3597 -14.9778
35 X F 41.8600 -16.1745
36 X Cl 34.3616 -12.6950 #-
BOND 38
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 1
11 7 12 2
12 10 13 1
13 10 14 1
14 11 15 1
15 12 16 1
16 13 17 2
17 14 18 2
18 15 19 1
19 15 20 2
20 19 21 2
21 19 22 1
22 20 23 1
23 21 24 1
24 24 25 1
25 9 12 1
26 17 18 1
27 23 24 2
28 17 26 1
29 26 27 1
30 27 28 1
31 27 29 2
32 28 30 2
33 30 31 1
34 31 32 2
35 32 33 1
36 33 34 2
37 28 34 1
38 32 35 1
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