ATOM 31
1 C8x C 13.5100 -23.2400
2 C8x C 13.5100 -24.6400
3 C8x C 14.7224 -25.3400
4 C8x C 15.9349 -24.6400
5 C8y C 15.9349 -23.2400
6 C8x C 14.7224 -22.5400
7 C1b C 17.1724 -22.5400
8 C1c C 18.3849 -23.2400
9 C5a C 19.5973 -22.5400
10 N1y N 20.8097 -23.2400
11 C1x C 21.2440 -24.5749
12 C1x C 22.6440 -24.5727
13 C1x C 23.0746 -23.2406
14 C1y C 21.9407 -22.4194
15 O5a O 19.5973 -21.1400
16 N1a N 18.3849 -24.6398
17 C5a C 21.9404 -21.0003
18 O5a O 20.7051 -20.2871
19 N1b N 23.1299 -20.3131
20 C1c C 24.3144 -20.9966
21 C5a C 25.5068 -20.3076
22 C1b C 26.6960 -20.9938
23 X Cl 27.8860 -20.3062
24 O5a O 25.5066 -18.9003
25 C1b C 24.3148 -22.3998
26 C1b C 25.5088 -23.0888
27 C1b C 26.6946 -22.4038
28 N1b N 27.8870 -23.0920
29 C2c C 29.0756 -22.4054
30 N1a N 30.2665 -23.0928
31 N2a N 29.0756 -21.0054
BOND 32
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 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 10 14 1
16 9 15 2
17 8 16 1 #Down
18 14 17 1 #Up
19 17 18 2
20 17 19 1
21 20 19 1 #Up
22 20 21 1
23 21 22 1
24 22 23 1
25 21 24 2
26 20 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 29 31 2
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