ATOM 46
1 C8y C 22.5539 -16.8687
2 C8y C 22.5539 -18.2632
3 C8x C 23.7616 -18.9605
4 C8x C 24.9694 -18.2632
5 C8y C 24.9694 -16.8687
6 C8x C 23.7616 -16.1714
7 C8y C 21.3462 -16.1714
8 C8y C 20.1384 -16.8687
9 C8y C 20.1384 -18.2632
10 S2x S 21.3462 -18.9605
11 C8x C 18.9308 -16.1714
12 C8x C 17.7230 -16.8687
13 C8x C 17.7230 -18.2632
14 C8x C 18.9308 -18.9605
15 C2b C 21.3462 -14.7768
16 C1b C 22.5705 -14.0698
17 X Cl 26.1957 -16.1604
18 C1b C 23.7600 -14.7568
19 N1y N 24.9443 -14.0732
20 C1x C 26.1370 -14.7621
21 C1x C 27.3495 -14.0623
22 N1y N 27.3498 -12.6623
23 C1x C 26.1571 -11.9734
24 C1x C 24.9445 -12.6732
25 C1b C 28.5741 -11.9557
26 C1b C 29.7819 -12.6533
27 C5a C 30.9633 -11.9714
28 N1b N 32.1574 -12.6612
29 C1a C 33.3456 -11.9755
30 O5a O 30.9635 -10.5702
31 C2b C 31.4526 -16.2449
32 C2b C 33.1261 -16.2449
33 C6a C 30.7554 -17.4526
34 C6a C 33.8234 -17.4526
35 O6a O 35.2177 -17.4526
36 O6a O 33.1357 -18.6435
37 O6a O 29.3610 -17.4526
38 O6a O 31.4431 -18.6435
39 C2b C 31.4526 -16.2449
40 C2b C 33.1261 -16.2449
41 C6a C 33.8234 -17.4526
42 O6a O 35.2177 -17.4526
43 O6a O 33.1357 -18.6435
44 C6a C 30.7554 -17.4526
45 O6a O 29.3610 -17.4526
46 O6a O 31.4431 -18.6435
BOND 47
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 2
10 9 10 1
11 2 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 7 15 2
18 15 16 1
19 5 17 1
20 16 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 19 24 1
28 22 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 27 30 2
34 31 32 2
35 31 33 1
36 32 34 1
37 34 35 2
38 34 36 1
39 33 37 1
40 33 38 2
41 39 40 2
42 39 44 1
43 40 41 1
44 41 42 2
45 41 43 1
46 44 45 1
47 44 46 2
BRACKET 1 28.1400 -19.3200 28.1400 -15.6100
1 35.6300 -15.6100 35.6300 -19.3200
1 2
ORIGINAL 1 31 32 34 35 36 33 37 38
REPEAT 1 39 40 41 42 43 44 45 46
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