ATOM 28
1 C8x C 13.8507 -15.8794
2 C8x C 13.8507 -17.2784
3 C8x C 15.0399 -17.9780
4 C8y C 16.2991 -17.2784
5 C8y C 16.2991 -15.8794
6 C8x C 15.0399 -15.1798
7 N4y N 17.6282 -17.6982
8 C8x C 18.4676 -16.5789
9 C8y C 17.6282 -15.4597
10 C5a C 18.0479 -14.1305
11 C8y C 19.4470 -13.8507
12 C1b C 18.1878 -19.0273
13 C1b C 20.1465 -20.4263
14 C1b C 19.5869 -19.1672
15 C1b C 22.0353 -21.8954
16 C1b C 21.5456 -20.6362
17 X F 23.4343 -22.1052
18 O5a O 17.0686 -13.1512
19 C8x C 20.3564 -14.9000
20 C8x C 21.6855 -14.6202
21 C8y C 22.1752 -13.2911
22 C8y C 21.2658 -12.2418
23 C8y C 19.8667 -12.5216
24 C8x C 21.6855 -10.9127
25 C8x C 20.7761 -9.8634
26 C8x C 19.3770 -10.1432
27 C8x C 18.9573 -11.4723
28 C1a C 23.5548 -13.0534
BOND 31
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 9 10 1
12 10 11 1
13 7 12 1
14 13 14 1
15 12 14 1
16 15 16 1
17 13 16 1
18 15 17 1
19 10 18 2
20 11 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 11 23 1
26 22 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 23 27 1
31 21 28 1
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