ATOM 28
1 C8y C 19.6787 -15.8391
2 C8y C 18.4160 -16.4120
3 N1y N 20.8831 -16.5173
4 N5x N 19.6496 -14.4243
5 C8y C 17.4807 -15.3656
6 C8x C 17.9950 -17.7508
7 C1x C 20.8306 -17.9321
8 C1x C 22.1050 -15.7981
9 S2x S 18.1705 -14.1554
10 C8x C 16.1126 -15.6462
11 C8x C 16.6447 -18.0372
12 C1x C 22.1225 -18.6043
13 C1x C 23.2975 -16.4996
14 C8x C 15.6742 -17.0142
15 N1y N 23.3209 -17.9027
16 C1b C 24.5369 -18.5809
17 C1b C 25.6770 -17.8910
18 C8y C 26.8695 -18.5458
19 C8x C 28.0855 -17.9027
20 C8y C 26.8695 -19.9548
21 C8y C 29.3073 -18.5809
22 C8x C 28.0855 -20.6681
23 X Cl 25.6653 -20.6562
24 C8y C 29.3016 -19.9840
25 C1x C 30.6462 -18.1542
26 N1x N 30.6345 -20.4284
27 C5x C 31.4705 -19.2941
28 O5x O 32.8619 -19.3058
BOND 32
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 10 14 2
14 12 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 2
19 18 20 1
20 19 21 1
21 20 22 2
22 20 23 1
23 21 24 2
24 21 25 1
25 24 26 1
26 25 27 1
27 27 28 2
28 5 9 1
29 11 14 1
30 13 15 1
31 22 24 1
32 26 27 1
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