ATOM 30
1 C1y C 27.6524 -17.5697
2 C1y C 27.6524 -16.1795
3 C5x C 26.3302 -15.7498
4 C1x C 25.5130 -16.8746
5 C1y C 26.3302 -17.9993
6 O5x O 25.9043 -14.4394
7 O1a O 25.9043 -19.3096
8 C1b C 28.8807 -15.0927
9 C1b C 30.0867 -15.7889
10 C2b C 31.2925 -15.0927
11 C2b C 28.8807 -18.2953
12 C2b C 30.0867 -17.5990
13 C1b C 31.2925 -18.2953
14 C1d C 32.4983 -17.5990
15 C2b C 33.7043 -18.2953
16 C2b C 34.9101 -17.5990
17 C2y C 36.1160 -18.2953
18 C2b C 32.6849 -15.0927
19 C1b C 33.8935 -15.7889
20 C1b C 35.0994 -15.0927
21 C7a C 36.3052 -15.7889
22 O7a O 37.5111 -15.0927
23 C1a C 38.7170 -15.7889
24 O6a O 36.3052 -17.1813
25 O1a O 33.7043 -16.9028
26 C1a C 31.2925 -16.9028
27 C1x C 36.1073 -19.6853
28 C1x C 37.4279 -20.1207
29 C1x C 38.2501 -18.9992
30 C2x C 37.4376 -17.8707
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 3 6 2
7 5 7 1 #Down
8 2 8 1 #Down
9 8 9 1
10 9 10 1
11 1 11 1 #Up
12 11 12 2
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 2
17 16 17 1
18 10 18 2
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 21 24 2
25 14 25 1
26 14 26 1
27 17 27 1
28 27 28 1
29 28 29 1
30 29 30 1
31 17 30 2
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