ATOM 29
1 C1x C 19.3959 -21.2047
2 C1x C 19.3959 -22.6047
3 C1x C 20.6112 -23.3047
4 C1x C 20.6112 -20.5047
5 C2y C 21.8194 -21.2047
6 C2y C 21.8135 -22.6081
7 C5x C 23.1464 -23.0474
8 N1y N 23.9759 -21.9154
9 C5x C 23.1557 -20.7766
10 O5x O 23.5941 -19.4471
11 O5x O 23.5735 -24.3807
12 C8y C 25.3758 -21.9212
13 C8y C 26.0642 -23.1372
14 C8x C 27.4642 -23.1429
15 C8y C 28.1693 -21.9335
16 C8y C 27.4742 -20.7182
17 C8x C 26.0743 -20.7124
18 X F 25.3566 -24.3452
19 O2a O 28.1793 -19.5087
20 C1b C 29.5792 -19.5146
21 C7a C 30.2841 -18.3050
22 O7a O 31.6841 -18.3108
23 O6a O 29.5892 -17.0897
24 C1b C 32.3891 -17.1014
25 C1b C 33.7891 -17.1072
26 C1b C 34.4942 -15.8978
27 C1b C 35.8939 -15.9036
28 C1a C 36.5990 -14.6940
29 X Cl 29.5690 -21.9393
BOND 31
1 5 6 2
2 6 7 1
3 12 13 2
4 13 14 1
5 14 15 2
6 15 16 1
7 16 17 2
8 17 12 1
9 7 8 1
10 13 18 1
11 8 9 1
12 16 19 1
13 9 5 1
14 19 20 1
15 4 1 1
16 20 21 1
17 9 10 2
18 21 22 1
19 21 23 2
20 7 11 2
21 22 24 1
22 1 2 1
23 24 25 1
24 8 12 1
25 25 26 1
26 2 3 1
27 26 27 1
28 3 6 1
29 27 28 1
30 5 4 1
31 15 29 1
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