ATOM 43
1 C8x C 22.5991 -18.4899
2 C8x C 22.5991 -19.8852
3 C8x C 23.7852 -20.5829
4 C8y C 25.0410 -19.8852
5 C8y C 25.0410 -18.4899
6 C8x C 23.7852 -17.7225
7 S2x S 26.2270 -20.5829
8 C8y C 27.4130 -19.8852
9 C8y C 27.4130 -18.4899
10 N4y N 26.2270 -17.7225
11 C8x C 28.6688 -20.5829
12 C8x C 29.8549 -19.8852
13 C8y C 29.8549 -18.4899
14 C8x C 28.6688 -17.7225
15 C1b C 26.2270 -16.3271
16 C1b C 27.4130 -15.6295
17 C1b C 28.5991 -16.3271
18 N1y N 29.7851 -15.6295
19 C1x C 30.9711 -16.3271
20 C1x C 32.2269 -15.6295
21 N1y N 32.2269 -14.2341
22 C1x C 31.0409 -13.5365
23 C1x C 29.7851 -14.2341
24 C1b C 33.4130 -13.5365
25 C1b C 34.5990 -14.2341
26 O1a O 35.7851 -13.5365
27 X Cl 31.0409 -17.7225
28 C6a C 38.7338 -18.9645
29 C2b C 38.0609 -17.8037
30 O6a O 38.1362 -20.2006
31 O6a O 40.0799 -18.9582
32 C2b C 36.4493 -17.8099
33 C6a C 35.7826 -18.9768
34 O6a O 34.4365 -18.9768
35 O6a O 36.4618 -20.2067
36 C6a C 38.7338 -18.9645
37 C2b C 38.0609 -17.8037
38 C2b C 36.4493 -17.8099
39 C6a C 35.7826 -18.9768
40 O6a O 34.4365 -18.9768
41 O6a O 36.4618 -20.2067
42 O6a O 38.1362 -20.2006
43 O6a O 40.0799 -18.9582
BOND 44
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 10 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 18 23 1
27 21 24 1
28 24 25 1
29 25 26 1
30 13 27 1
31 28 29 1
32 28 30 1
33 28 31 2
34 29 32 2
35 32 33 1
36 33 34 1
37 33 35 2
38 36 37 1
39 36 42 1
40 36 43 2
41 37 38 2
42 38 39 1
43 39 40 1
44 39 41 2
BRACKET 1 33.3200 -20.8600 33.3200 -17.1500
1 40.8100 -17.1500 40.8100 -20.8600
1 2
ORIGINAL 1 28 29 32 33 34 35 30 31
REPEAT 1 36 37 38 39 40 41 42 43
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