ATOM 27
1 C8x C 28.1843 -19.1163
2 C8y C 29.3166 -18.3990
3 C8y C 29.3421 -16.9583
4 C8y C 28.1312 -16.2950
5 C8y C 26.9289 -17.0124
6 C8x C 26.9376 -18.3930
7 C8x C 28.1225 -14.9144
8 N5y N 26.8758 -14.1911 #+
9 C8y C 25.6735 -14.9085
10 C8y C 25.7181 -16.3492
11 C1x C 26.8671 -12.8105
12 C1x C 25.6563 -12.1473
13 C8y C 24.4540 -12.8647
14 C8y C 24.4627 -14.2453
15 C8x C 23.2073 -12.1413
16 C8y C 22.0050 -12.8587
17 C8y C 21.9795 -14.2994
18 C8x C 23.2604 -14.9626
19 O2a O 20.8473 -15.0168
20 C1a C 19.6005 -14.2935
21 O2a O 20.7941 -12.1955
22 O2a O 30.5975 -19.0622
23 O2a O 30.5443 -16.2409
24 C1a C 31.7911 -16.9642
25 C1a C 24.5158 -17.0666
26 C1a C 19.6017 -12.9202
27 C1a C 31.7812 -18.3045
BOND 30
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 2
16 9 14 1
17 13 15 1
18 15 16 2
19 16 17 1
20 17 18 2
21 14 18 1
22 17 19 1
23 19 20 1
24 16 21 1
25 2 22 1
26 3 23 1
27 23 24 1
28 10 25 1
29 21 26 1
30 22 27 1
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