ATOM 33
1 C8x C 12.6000 -14.7000
2 C8x C 12.6000 -16.1000
3 C8y C 13.8124 -16.8000
4 C8y C 15.0249 -16.1000
5 C8y C 15.0249 -14.7000
6 C8y C 13.8124 -14.0000
7 C8x C 16.2373 -16.8000
8 C8x C 17.4497 -16.1000
9 C8x C 17.4497 -14.7000
10 N5x N 16.2373 -14.0000
11 O1a O 13.8124 -12.6002
12 C5a C 13.8124 -18.1998
13 O5a O 12.5832 -18.9097
14 C1a C 15.0080 -18.8902
15 S4a S 22.6800 -15.4000
16 O1d O 24.0800 -15.4000
17 O1d O 21.2800 -15.4000
18 O1d O 22.6800 -14.0000
19 O1d O 22.6800 -16.8000
20 C8x C 12.6000 -14.7000
21 C8x C 12.6000 -16.1000
22 C8y C 13.8124 -16.8000
23 C8y C 15.0249 -16.1000
24 C8y C 15.0249 -14.7000
25 C8y C 13.8124 -14.0000
26 O1a O 13.8124 -12.6002
27 N5x N 16.2373 -14.0000
28 C8x C 17.4497 -14.7000
29 C8x C 17.4497 -16.1000
30 C8x C 16.2373 -16.8000
31 C5a C 13.8124 -18.1998
32 O5a O 12.5832 -18.9097
33 C1a C 15.0080 -18.8902
BOND 34
1 15 16 2
2 15 17 2
3 15 18 1
4 15 19 1
5 1 2 2
6 2 3 1
7 3 4 2
8 4 5 1
9 5 6 2
10 1 6 1
11 4 7 1
12 7 8 2
13 8 9 1
14 9 10 2
15 5 10 1
16 6 11 1
17 3 12 1
18 12 13 2
19 12 14 1
20 20 21 2
21 21 22 1
22 22 23 2
23 23 24 1
24 24 25 2
25 20 25 1
26 23 30 1
27 30 29 2
28 29 28 1
29 28 27 2
30 24 27 1
31 25 26 1
32 22 31 1
33 31 32 2
34 31 33 1
BRACKET 1 11.0600 -19.6000 11.0600 -12.0400
1 17.9200 -12.0400 17.9200 -19.6000
1 2
ORIGINAL 1 1 2 3 4 5 6 11 10 9 8 7 12 13 14
REPEAT 1 20 21 22 23 24 25 26 27 28 29 30 31 32 33
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