ATOM 28
1 C1y C 18.4039 -15.4737
2 C1y C 17.2065 -16.1746
3 C1z C 18.4100 -14.0903
4 C1x C 20.7984 -15.4798
5 C1y C 16.0156 -15.4861
6 C1x C 17.2313 -17.5890
7 C1y C 19.6073 -13.4016
8 C1x C 17.2004 -13.4079
9 C1a C 18.4367 -12.6202
10 C1x C 20.8047 -14.1027
11 C1z C 14.8369 -16.1809
12 C1x C 16.0032 -14.1027
13 C1x C 16.0280 -18.2280
14 C1c C 19.6136 -12.0493
15 C1y C 14.8369 -17.5456
16 C1x C 13.6521 -15.5047
17 C1a C 14.8263 -14.8284
18 C1b C 20.7860 -11.3794
19 C1a C 18.0157 -11.2748
20 C1x C 13.6521 -18.2343
21 C1x C 12.4858 -16.1809
22 C1b C 21.9523 -12.0618
23 C5x C 12.4858 -17.5456
24 C1b C 23.1247 -11.3918
25 O5x O 11.3134 -18.2156
26 C1c C 24.2909 -12.0681
27 C1a C 25.4572 -11.3979
28 C1a C 24.2846 -13.4141
BOND 31
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 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 11 15 1
15 11 16 1
16 11 17 1 #Up
17 14 18 1
18 14 19 1 #Down
19 15 20 1
20 16 21 1
21 18 22 1
22 20 23 1
23 22 24 1
24 23 25 2
25 24 26 1
26 26 27 1
27 26 28 1
28 7 10 1
29 8 12 1
30 13 15 1
31 21 23 1
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