ATOM 29
1 C1y C 19.6700 -13.7200
2 C1y C 19.6700 -15.1200
3 C1y C 20.8824 -15.8200
4 C1y C 22.0949 -15.1200
5 C1y C 22.0949 -13.7200
6 O2x O 20.8824 -13.0200
7 O2a O 23.3073 -13.0200
8 O2a O 18.4576 -15.8200
9 N1b N 23.3073 -15.8200
10 C1b C 18.4576 -13.0200
11 O1a O 20.8824 -17.2200
12 R R 27.0873 -13.0200
13 C1y C 17.2451 -16.5200
14 O2x O 16.0140 -15.8090
15 C1y C 14.8015 -16.5088
16 C1y C 14.8013 -17.9088
17 C1y C 16.0324 -18.6198
18 C1y C 17.2449 -17.9200
19 C6a C 13.5890 -15.8088
20 O1a O 18.4574 -18.6200
21 O1a O 16.0324 -20.0198
22 O6a O 13.5890 -14.4088
23 O6a O 12.3766 -16.5088
24 C5a C 23.3073 -17.2200
25 O5a O 22.0969 -17.9188
26 C1a C 24.5218 -17.9212
27 O2a O 13.5605 -18.6251
28 R R 9.9205 -18.6251
29 O1a O 17.2621 -13.7104
BOND 30
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 5 7 1 #Down
8 2 8 1 #Down
9 4 9 1 #Down
10 1 10 1 #Up
11 3 11 1 #Up
12 7 12 1
13 13 8 1 #Up
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 15 19 1 #Up
21 18 20 1 #Down
22 17 21 1 #Up
23 19 22 2
24 19 23 1
25 9 24 1
26 24 25 2
27 24 26 1
28 16 27 1 #Down
29 27 28 1
30 10 29 1
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