ATOM 29
1 C8y C 21.1798 -16.4795
2 C8y C 21.1798 -17.8821
3 C8x C 22.3944 -18.5833
4 C8x C 23.6090 -17.8821
5 C8y C 23.6090 -16.4795
6 C8x C 22.3944 -15.7782
7 C1c C 24.8423 -15.7672
8 C6a C 19.9652 -18.5833
9 O6a O 18.7675 -17.8917
10 O6a O 19.9651 -19.9857
11 X Cl 19.9652 -15.7782
12 C1b C 26.0497 -16.4642
13 O1a O 24.8420 -14.3759
14 C1b C 27.2341 -15.7801
15 C1a C 28.9152 -16.4795
16 C1b C 26.0497 -16.4642
17 C1b C 27.2341 -15.7801
18 C1b C 26.0497 -16.4642
19 C1b C 27.2341 -15.7801
20 C1b C 26.0497 -16.4642
21 C1b C 27.2341 -15.7801
22 C1b C 26.0497 -16.4642
23 C1b C 27.2341 -15.7801
24 C1b C 26.0497 -16.4642
25 C1b C 27.2341 -15.7801
26 C1b C 26.0497 -16.4642
27 C1b C 27.2341 -15.7801
28 C1b C 26.0497 -16.4642
29 C1b C 27.2341 -15.7801
BOND 29
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 2 8 1
9 8 9 1
10 8 10 2
11 1 11 1
12 7 13 1
13 7 12 1
14 12 14 1
15 14 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 15 1
BRACKET 1 25.9000 -17.2200 25.9000 -15.4000
1 27.3700 -15.4000 27.3700 -17.2200
1 8
ORIGINAL 1 12 14
REPEAT 1 16 17 18 19 20 21 22 23 24 25 26 27 28 29
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