ATOM 27
1 C1y C 20.2009 -13.5644
2 C1y C 21.6135 -13.5644
3 C1y C 22.0500 -12.2209
4 O2x O 20.9072 -11.3907
5 C1x C 19.7644 -12.2209
6 C1y C 19.7644 -14.9078
7 O2x O 20.9072 -15.7381
8 C1x C 22.0500 -14.9078
9 C8y C 23.4231 -11.5096
10 C8x C 24.6141 -12.1971
11 C8y C 25.8121 -11.5053
12 C8y C 25.8121 -10.1218
13 C8x C 24.6211 -9.4342
14 C8x C 23.4230 -10.1261
15 O2a O 27.0156 -9.4267
16 O2a O 27.0292 -12.2077
17 C1a C 28.2134 -10.1179
18 C1a C 28.2065 -11.5276
19 C8y C 18.6121 -15.6709
20 C8x C 17.4307 -14.9887
21 C8y C 16.2325 -15.6803
22 C8y C 16.2323 -17.0638
23 C8x C 17.4138 -17.7461
24 C8x C 18.6120 -17.0544
25 O2a O 15.0158 -14.9778
26 C1a C 13.8331 -15.6605
27 O1a O 15.0239 -17.7615
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1
7 6 7 1
8 7 8 1
9 2 8 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 12 15 1
17 11 16 1
18 15 17 1
19 16 18 1
20 3 9 1 #Up
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 21 25 1
28 25 26 1
29 22 27 1
30 6 19 1 #Down
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