ATOM 28
1 C8y C 19.7390 -15.5590
2 C8y C 19.7265 -16.9530
3 C8y C 18.5389 -14.8462
4 C5x C 20.9394 -14.8712
5 C5x C 20.9268 -17.6344
6 C8x C 18.5075 -17.6406
7 O2a O 18.5514 -13.4897
8 C8x C 17.3198 -15.5340
9 C8y C 22.1334 -15.5713
10 O5x O 20.9457 -13.5084
11 C8y C 22.1334 -16.9468
12 O5x O 20.9332 -19.0672
13 C8x C 17.3010 -16.9405
14 C1y C 16.3820 -12.8583
15 C8x C 23.3212 -14.8900
16 C8x C 23.3212 -17.6406
17 O2x O 15.8381 -11.7143
18 C1y C 15.7132 -14.0461
19 C8x C 24.5027 -15.5713
20 C8x C 24.5027 -16.9468
21 C1y C 14.3191 -11.6955
22 C1y C 14.3441 -14.0586
23 O1a O 16.1908 -15.1826
24 C1y C 13.6501 -12.8895
25 C1b C 13.6376 -10.5390
26 O1a O 13.6815 -15.1701
27 O1a O 12.3060 -12.9083
28 O1a O 12.2998 -10.7890
BOND 31
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 2
12 6 13 1
13 14 7 1 #Up
14 9 15 1
15 11 16 1
16 14 17 1
17 14 18 1
18 15 19 2
19 16 20 2
20 17 21 1
21 18 22 1
22 18 23 1 #Down
23 21 24 1
24 21 25 1 #Up
25 22 26 1 #Up
26 24 27 1 #Down
27 25 28 1
28 8 13 2
29 9 11 2
30 19 20 1
31 22 24 1
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