ATOM 18
1 C1y C 26.7216 -16.5602
2 C1y C 27.3161 -15.2895
3 C2y C 27.7475 -17.5220
4 C1x C 25.3460 -16.8692
5 C1x C 26.7157 -14.0305
6 O7x O 28.7151 -15.4643
7 C7x C 28.9774 -16.8459
8 C2a C 27.7125 -18.9093
9 C2x C 24.2501 -15.9948
10 C1y C 25.3460 -13.7215
11 O6a O 30.2422 -17.4404
12 C2y C 24.2501 -14.6017
13 C1a C 25.0312 -12.3633
14 C1b C 23.0494 -13.9022
15 C1b C 21.8076 -14.6124
16 C5a C 20.6299 -13.9259
17 C1a C 19.4281 -14.6133
18 O5a O 20.6357 -12.5301
BOND 19
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 7 11 2
11 9 12 2
12 10 13 1 #Up
13 12 14 1
14 6 7 1
15 10 12 1
16 14 15 1
17 15 16 1
18 16 17 1
19 16 18 2
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