ATOM 35
1 C1z C 10.7800 -14.5600
2 C1z C 12.1800 -14.5600
3 O2x O 12.8800 -13.3476
4 C1y C 12.1800 -12.1351
5 C5x C 10.7800 -12.1351
6 C1x C 10.0800 -13.3476
7 O2x O 10.3474 -15.8915
8 C1y C 11.4800 -16.7144
9 C1y C 12.6126 -15.8915
10 C1a C 9.3877 -14.7063
11 O2x O 13.7900 -14.5600
12 O5x O 10.0690 -10.9040
13 C1a C 11.4800 -18.1144
14 C6a C 13.8251 -16.5915
15 O6a O 13.8251 -17.9915
16 O6a O 15.1774 -16.2291
17 C1y C 13.5800 -12.1351
18 C1y C 14.5699 -13.3351
19 C1a C 14.1868 -10.8483
20 C1c C 15.9699 -13.3351
21 C2b C 16.6699 -14.5475
22 C2c C 18.0599 -14.5476
23 C2b C 18.7599 -15.7600
24 C2b C 20.1599 -15.7600
25 C2c C 20.8599 -16.9725
26 C2y C 22.2599 -16.9725
27 C1a C 16.6525 -12.1533
28 C1a C 18.7547 -13.3445
29 O1a O 20.1599 -18.1849
30 C5x C 22.9599 -18.1849
31 C1x C 24.3294 -17.8938
32 N1x N 24.4757 -16.5015
33 C5x C 23.1967 -15.9321
34 O5x O 22.9098 -14.5844
35 O5x O 22.3849 -19.4764
BOND 38
1 1 2 1
2 2 3 1
3 4 3 1 #Up
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 2 9 1
11 1 10 1 #Down
12 2 11 1 #Down
13 5 12 2
14 8 13 1 #Up
15 9 14 1 #Up
16 14 15 1
17 14 16 2
18 4 17 1
19 17 18 1
20 18 11 1 #Up
21 17 19 1 #Down
22 18 20 1
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 20 27 1 #Down
30 22 28 1
31 25 29 1
32 26 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 26 33 1
37 33 34 2
38 30 35 2
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