ATOM 23
1 C1y C 31.9314 -16.2397
2 C7x C 33.0675 -17.0572
3 O7x O 34.1989 -16.2354
4 C1x C 33.7641 -14.9082
5 C1x C 32.3621 -14.9060
6 C1a C 13.4333 -16.3234
7 C1b C 14.6474 -17.0221
8 C1b C 15.8684 -16.3164
9 C1b C 17.0897 -17.0084
10 C1b C 18.3101 -16.3029
11 C1b C 19.5385 -16.9949
12 C2b C 20.7589 -16.2895
13 C2b C 22.1644 -16.2881
14 C1b C 23.3856 -16.9869
15 C1b C 24.6066 -16.2810
16 C1b C 25.8278 -16.9732
17 C1c C 27.0486 -16.2670
18 C1b C 28.2702 -16.9586
19 C5a C 29.4905 -16.2529
20 N1b N 30.7188 -16.9445
21 O6a O 33.0060 -18.3292
22 O1a O 27.0405 -14.8554
23 O5a O 29.4824 -14.8413
BOND 23
1 11 12 1
2 1 2 1
3 12 13 2
4 6 7 1
5 13 14 1
6 2 3 1
7 14 15 1
8 7 8 1
9 15 16 1
10 3 4 1
11 16 17 1
12 8 9 1
13 17 18 1
14 4 5 1
15 18 19 1
16 9 10 1
17 19 20 1
18 1 20 1 #Up
19 5 1 1
20 2 21 2
21 10 11 1
22 17 22 1
23 19 23 2
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