ATOM 29
1 C1x C 19.8883 -16.5278
2 C1y C 19.8883 -15.1273
3 C1x C 21.0787 -14.4271
4 C1y C 22.3390 -15.1273
5 C1z C 22.3390 -16.5278
6 C1x C 21.0787 -17.2280
7 C2y C 23.5294 -14.4271
8 C1y C 24.7898 -15.1273
9 C1y C 24.7898 -16.5278
10 C1x C 23.5294 -17.2280
11 C1a C 22.3390 -17.9282
12 O1a O 25.9802 -17.2280
13 C2a C 23.5294 -13.0967
14 C1d C 18.6979 -14.4271
15 O2a O 17.5075 -15.1273
16 C1y C 16.2471 -15.8276
17 O2x O 15.0568 -15.1273
18 C1y C 13.8664 -15.8276
19 C1y C 13.8664 -17.2280
20 C1y C 15.0568 -17.8582
21 C1y C 16.2471 -17.2280
22 O1a O 17.5075 -17.8582
23 O1a O 15.0568 -19.2586
24 O1a O 12.6060 -17.8582
25 C1b C 12.6060 -15.1273
26 O1a O 11.3456 -15.8276
27 C1a C 19.3281 -13.1667
28 C1a C 17.9977 -13.1667
29 O1a O 25.9802 -14.4271
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
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 5 11 1 #Up
13 9 12 1 #Down
14 7 13 2
15 2 14 1 #Up
16 14 15 1
17 16 15 1 #Up
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 16 21 1
24 21 22 1 #Down
25 20 23 1 #Up
26 19 24 1 #Down
27 18 25 1 #Up
28 25 26 1
29 14 27 1
30 14 28 1
31 8 29 1 #Up
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