ATOM 29
1 C8y C 33.2615 -17.3717
2 C8x C 33.2615 -18.7726
3 C8x C 34.4747 -19.4730
4 C8x C 35.6879 -18.7726
5 C8x C 35.6879 -17.3717
6 C8x C 34.4747 -16.6713
7 O2a O 32.0482 -16.6713
8 C1b C 30.8520 -17.3621
9 C1b C 29.6638 -16.6762
10 N1d N 28.4719 -17.3646 #+
11 C1b C 27.2815 -16.6775
12 C8y C 26.0907 -17.3652
13 S2x S 24.9691 -16.5662
14 C8x C 23.8664 -17.3868
15 C8x C 24.3061 -18.6889
16 C8x C 25.6804 -18.6731
17 C1a C 28.4719 -18.7655
18 C1a C 28.4719 -15.7536
19 C8y C 38.0457 -16.7008
20 C8x C 36.8265 -17.4007
21 C8x C 39.2590 -17.4007
22 S4a S 38.0982 -15.3007
23 C8x C 36.8265 -18.8006
24 C8x C 39.2590 -18.8006
25 O1d O 36.6980 -15.3007
26 O1d O 39.5041 -15.3007
27 O1d O 38.0924 -13.9006 #-
28 C8y C 38.0457 -19.5123
29 X Cl 38.0515 -20.9125
BOND 30
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 1 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 12 16 2
18 10 17 1
19 10 18 1
20 19 20 1
21 19 21 2
22 19 22 1
23 20 23 2
24 21 24 1
25 22 25 2
26 22 26 2
27 22 27 1
28 23 28 1
29 28 29 1
30 24 28 2
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