ATOM 29
1 C8y C 23.2564 -9.6805
2 C8y C 23.2564 -11.0801
3 N4x N 22.0435 -8.9808
4 C8x C 24.4694 -8.9808
5 C8y C 22.0435 -11.7798
6 C8x C 24.4694 -11.7798
7 C8y C 20.8306 -9.6805
8 C8x C 25.6823 -9.6805
9 N4y N 20.8306 -11.0801
10 O5x O 22.0435 -13.1794
11 C8x C 25.6823 -11.0801
12 O5x O 19.6176 -8.9808
13 C1b C 19.6176 -11.7798
14 C1b C 18.4047 -11.0801
15 C1b C 17.2052 -11.7731
16 N1y N 15.9982 -11.0765
17 C1x C 15.9976 -9.6604
18 C1x C 14.7848 -8.9609
19 N1y N 13.5727 -9.6614
20 C1x C 13.5733 -11.0775
21 C1x C 14.7861 -11.7770
22 C8y C 12.3648 -8.9648
23 C8x C 12.3641 -7.5602
24 C8x C 11.1514 -6.8608
25 C8x C 9.9393 -7.5614
26 C8y C 9.9400 -8.9659
27 C8x C 11.1527 -9.6654
28 X Cl 8.7305 -9.6650
29 X Cl 28.0000 -11.0600
BOND 31
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 1
11 7 12 2
12 9 13 1
13 13 14 1
14 7 9 1
15 8 11 2
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 16 21 1
24 19 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 22 27 1
31 26 28 1
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