ATOM 22
1 C1y C 29.8795 -20.1832
2 C1y C 29.2913 -21.4527
3 C1x C 29.2680 -18.9251
4 O7x O 31.2715 -20.3521
5 C1x C 27.9169 -21.7788
6 C2y C 30.3163 -22.4078
7 C1y C 27.8995 -18.6282
8 C7x C 31.5394 -21.7265
9 C2x C 26.8105 -20.9053
10 C2a C 30.1474 -23.7938
11 C2y C 26.8046 -19.5076
12 C1a C 27.9331 -17.1958
13 O6a O 32.8030 -22.3145
14 C1c C 25.6050 -18.8145
15 C1b C 24.3936 -19.5076
16 O7a O 25.6050 -17.4168
17 C7a C 24.4052 -16.7239
18 C1a C 23.1997 -17.4168
19 O6a O 24.4052 -15.3261
20 C5a C 24.3883 -20.9297
21 C1a C 23.1520 -21.6377
22 O5a O 25.5770 -21.6220
BOND 23
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 4 8 1
8 5 9 1
9 6 10 2
10 7 11 1
11 7 12 1 #Up
12 8 13 2
13 11 14 1
14 14 15 1
15 14 16 1
16 16 17 1
17 17 18 1
18 17 19 2
19 6 8 1
20 9 11 2
21 15 20 1
22 20 21 1
23 20 22 2
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