ATOM 26
1 C8x C 20.0037 -16.8096
2 C8y C 20.0037 -18.2097
3 C8x C 21.2192 -18.9097
4 C8x C 22.4274 -18.2097
5 C8y C 22.4274 -16.8096
6 C8y C 21.2192 -16.1096
7 O1a O 18.7915 -18.9102
8 X Cl 21.2209 -14.7096
9 C1c C 23.6404 -16.1104
10 C1b C 24.8523 -16.8113
11 N1b N 26.0653 -16.1123
12 O1a O 23.6414 -14.7104
13 C1d C 27.2726 -16.8096
14 C1a C 28.2626 -15.8126
15 C1a C 26.2756 -17.7995
16 C1a C 28.4817 -17.5096
17 C1c C 34.4374 -17.0415
18 C1c C 35.6466 -16.3464
19 C6a C 33.2224 -16.3522
20 O1a O 34.4374 -18.4435
21 C6a C 36.8618 -17.0357
22 O1a O 35.6408 -14.9387
23 O6a O 32.0133 -17.0474
24 O6a O 33.2224 -14.9504
25 O6a O 38.0767 -16.3347
26 O6a O 36.8909 -18.4377
BOND 25
1 1 2 2
2 5 9 1
3 2 3 1
4 9 10 1
5 3 4 2
6 10 11 1
7 4 5 1
8 9 12 1 #Up
9 5 6 2
10 11 13 1
11 6 1 1
12 13 14 1
13 13 15 1
14 2 7 1
15 13 16 1
16 6 8 1
17 17 18 1
18 17 19 1
19 17 20 1 #Up
20 18 21 1
21 18 22 1 #Up
22 19 23 1
23 19 24 2
24 21 25 1
25 21 26 2
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