ATOM 26
1 C8x C 22.5501 -16.9870
2 C8x C 23.0958 -18.2560
3 C8x C 24.4585 -18.4207
4 C8x C 23.3801 -15.8773
5 C8y C 24.7585 -16.0430
6 C8y C 25.2976 -17.3147
7 C8x C 26.8857 -12.9704
8 C8x C 25.7725 -13.7055
9 N5y N 28.1741 -13.6296 #+
10 C8y C 28.1373 -15.0142
11 C1x C 29.3555 -15.6761
12 C1x C 29.2868 -12.9003
13 C1y C 30.5049 -13.5621
14 C1y C 30.5380 -14.9471
15 C2y C 31.7496 -15.6084
16 C2x C 32.9283 -14.8843
17 O2x O 32.8979 -13.5059
18 C1y C 31.6861 -12.8447
19 C1a C 31.7691 -11.3920
20 C7a C 31.7711 -17.0597
21 C8y C 26.9608 -15.7462
22 C8y C 25.7510 -15.0939
23 N4x N 26.7163 -17.1004 #-
24 O7a O 33.0936 -17.6287
25 C1a C 33.2667 -19.0766
26 O6a O 30.5946 -17.9233
BOND 30
1 5 6 2
2 1 2 1
3 21 10 1
4 9 7 1
5 7 8 2
6 13 14 1
7 14 15 1
8 15 16 2
9 16 17 1
10 17 18 1
11 18 13 1
12 8 22 1
13 18 19 1 #Down
14 2 3 2
15 15 20 1
16 3 6 1
17 5 4 1
18 4 1 2
19 21 22 2
20 22 5 1
21 6 23 1
22 23 21 1
23 9 10 2
24 20 24 1
25 10 11 1
26 24 25 1
27 11 14 1
28 20 26 2
29 13 12 1
30 12 9 1
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