ATOM 20
1 C1z C 24.2153 -16.0064
2 C1y C 24.2210 -14.6080
3 C1x C 25.3166 -16.8864
4 C1y C 23.0207 -16.7000
5 C1a C 24.2036 -17.3934
6 C1y C 25.3224 -13.7280
7 C1x C 23.0207 -13.9144
8 C1y C 26.6977 -16.5717
9 O2x O 21.8084 -16.0064
10 O1a O 23.0264 -18.0986
11 C1x C 26.6919 -14.0310
12 C1a C 25.0077 -12.3701
13 C1y C 21.8084 -14.6080
14 C1y C 27.2980 -15.3013
15 C2y C 27.7176 -17.5390
16 O1a O 20.6021 -13.9144
17 O7x O 28.6966 -15.4820
18 C7x C 28.9589 -16.8630
19 C2a C 27.5427 -18.9260
20 O6a O 30.2175 -17.4633
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 4 9 1
9 4 10 1 #Down
10 6 11 1
11 6 12 1 #Down
12 7 13 1
13 8 14 1
14 8 15 1
15 13 16 1 #Up
16 14 17 1
17 15 18 1
18 15 19 2
19 18 20 2
20 9 13 1
21 11 14 1
22 17 18 1
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