ATOM 37
1 C8y C 18.2294 -13.9462
2 C1x C 19.6391 -13.9462
3 C1y C 20.6259 -14.9330
4 C1z C 20.6259 -16.3427
5 C1y C 19.6391 -17.3295
6 C8y C 18.2294 -17.3295
7 C8y C 17.2426 -16.3427
8 C8y C 17.2426 -14.9330
9 C8x C 17.8770 -12.6069
10 C8y C 16.4672 -12.2545
11 C8y C 15.4804 -13.2413
12 C8y C 15.8329 -14.5806
13 O2x O 15.8329 -10.9858
14 C1x C 14.4936 -11.1972
15 O2x O 14.2117 -12.6069
16 C8y C 15.8329 -16.6952
17 C8y C 15.4804 -18.1049
18 C8y C 16.4672 -19.0917
19 C8x C 17.8065 -18.7393
20 O2a O 16.1148 -20.4310
21 C1a C 14.7756 -20.7834
22 O2a O 14.1412 -18.4573
23 C1a C 13.7183 -19.7966
24 C1a C 13.4363 -14.5806
25 O2a O 14.6346 -15.2854
26 O2a O 14.6346 -16.2722
27 C1a C 13.4363 -16.9771
28 C1a C 21.8947 -14.3691
29 C1a C 21.8242 -15.6379
30 O1a O 21.3308 -17.5410
31 O7a O 20.2030 -18.5983
32 C7a C 21.4013 -19.3032
33 O6a O 22.5996 -18.5983
34 C2c C 21.4013 -20.7129
35 C2b C 22.5996 -21.4178
36 C1a C 20.2030 -21.4178
37 C1a C 23.7978 -20.7129
BOND 40
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 1 1 #Down
9 1 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 8 12 2
14 10 13 1
15 13 14 1
16 14 15 1
17 11 15 1
18 7 16 2
19 16 17 1
20 17 18 2
21 18 19 1
22 6 19 2
23 18 20 1
24 20 21 1
25 17 22 1
26 22 23 1
27 24 25 1
28 25 12 1
29 26 16 1
30 26 27 1
31 3 28 1 #Down
32 4 29 1 #Up
33 4 30 1 #Down
34 5 31 1 #Up
35 31 32 1
36 32 33 2
37 32 34 1
38 34 35 2
39 34 36 1
40 35 37 1
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