ATOM 27
1 C8x C 20.5308 -17.4126
2 C8y C 20.5308 -18.8307
3 C8x C 21.7590 -19.5398
4 C8x C 22.9872 -18.8307
5 C8y C 22.9872 -17.4126
6 C8x C 21.7590 -16.7035
7 C8x C 25.4435 -18.8307
8 C8y C 25.4435 -17.4126
9 C1c C 24.2153 -16.7035
10 C8x C 26.6717 -19.5398
11 C8x C 27.8998 -18.8307
12 C8x C 27.8998 -17.4126
13 N5x N 26.6717 -16.7035
14 X Cl 19.3027 -19.5398
15 C1b C 24.2153 -15.2853
16 C1b C 25.4456 -14.5750
17 N1c N 25.4456 -13.1583
18 C1a C 26.6572 -12.4586
19 C1a C 24.2008 -12.4395
20 C6a C 33.4785 -15.9462
21 C2b C 32.8034 -14.7815
22 O6a O 32.8789 -17.1864
23 O6a O 34.8291 -15.9399
24 C2b C 31.1865 -14.7877
25 C6a C 30.5175 -15.9585
26 O6a O 29.1669 -15.9585
27 O6a O 31.1990 -17.1925
BOND 27
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 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 2 14 1
16 9 15 1 #Down
17 15 16 1
18 16 17 1
19 17 18 1
20 17 19 1
21 20 21 1
22 20 22 1
23 20 23 2
24 21 24 2
25 24 25 1
26 25 26 1
27 25 27 2
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