ATOM 22
1 C8y C 27.1451 -16.3193
2 C8y C 25.9280 -17.0215
3 C1y C 28.3563 -17.0215
4 C8y C 27.1510 -14.9149
5 C8y C 25.9338 -18.4201
6 C8y C 24.7108 -16.3193
7 C1x C 28.3506 -18.4201
8 N1y N 29.5851 -16.3310
9 C8x C 25.9338 -14.2127
10 C1x C 28.3738 -14.2186
11 C8y C 27.1393 -19.1163
12 C8y C 24.7284 -19.1106
13 C8y C 24.7108 -14.9208
14 O2x O 23.3826 -16.7523
15 C1x C 29.5910 -14.9208
16 C1a C 30.7906 -17.0332
17 C8x C 27.1393 -20.5090
18 C8x C 24.7284 -20.5031
19 O1a O 23.5054 -18.3967
20 O2x O 23.3766 -14.4877
21 C1x C 22.5633 -15.6230
22 C8x C 25.9280 -21.1936
BOND 26
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 3 8 1
8 4 9 2
9 4 10 1
10 5 11 2
11 5 12 1
12 6 13 2
13 6 14 1
14 8 15 1
15 8 16 1
16 11 17 1
17 12 18 2
18 12 19 1
19 13 20 1
20 14 21 1
21 17 22 2
22 7 11 1
23 9 13 1
24 10 15 1
25 18 22 1
26 20 21 1
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