ATOM 29
1 C8y C 20.2033 -14.1082
2 C8y C 20.2033 -12.6980
3 O2x O 21.4341 -14.8133
4 C8x C 18.9790 -14.8198
5 C5x C 21.4212 -11.9800
6 C8x C 18.9790 -11.9992
7 C1y C 22.6649 -14.1082
8 C8y C 17.7738 -14.1082
9 C1x C 22.6584 -12.6916
10 O5x O 21.4149 -10.5890
11 C8x C 17.7738 -12.6980
12 C8y C 23.8698 -14.8198
13 O2a O 16.5560 -14.8004
14 C8x C 23.8570 -16.2171
15 C8x C 25.0750 -14.1403
16 C1y C 15.3509 -15.4929
17 C8x C 24.9724 -16.9159
18 C8x C 26.2801 -14.8389
19 O2x O 14.1329 -14.8004
20 C1y C 15.3509 -16.8966
21 C8x C 26.2673 -16.2365
22 C1y C 12.9214 -15.4992
23 C1y C 14.1329 -17.5888
24 O1a O 16.5560 -17.5888
25 C1y C 12.9214 -16.8966
26 C1b C 11.7291 -14.8004
27 O1a O 14.1329 -18.9799
28 O1a O 11.7291 -17.5888
29 O1a O 10.6585 -15.6979
BOND 32
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 1
9 5 10 2
10 6 11 2
11 7 12 1
12 8 13 1
13 12 14 1
14 12 15 2
15 16 13 1 #Up
16 14 17 2
17 15 18 1
18 16 19 1
19 16 20 1
20 17 21 1
21 19 22 1
22 20 23 1
23 20 24 1 #Down
24 22 25 1
25 22 26 1 #Up
26 23 27 1 #Up
27 25 28 1 #Down
28 26 29 1
29 7 9 1
30 8 11 1
31 18 21 2
32 23 25 1
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