ATOM 30
1 C1c C 17.7759 -12.9995
2 C1b C 16.5592 -12.2952
3 C5a C 18.9809 -12.2952
4 N1b N 17.7759 -14.4026
5 C8y C 15.3484 -12.9995
6 N1b N 20.4017 -13.0695
7 O5a O 18.9809 -11.0381
8 C1b C 16.5592 -15.0953
9 C8x C 15.3484 -14.3967
10 C8x C 14.1375 -12.2952
11 C1c C 21.6184 -12.3710
12 C8y C 16.5592 -16.4924
13 C8x C 14.1375 -15.0953
14 C8x C 12.9208 -12.9995
15 C1b C 22.8294 -13.0755
16 C1b C 21.6184 -10.9681
17 C8x C 15.3425 -17.1910
18 C8x C 17.7702 -17.1910
19 C8x C 12.9208 -14.3967
20 C8y C 22.8294 -14.4726
21 N3a N 22.8351 -10.2752 #+
22 C8x C 15.3425 -18.5882
23 C8x C 17.7702 -18.5939
24 C8x C 21.6184 -15.1653
25 C8x C 24.0460 -15.1653
26 N3a N 24.0460 -11.1838 #-
27 C8x C 16.5535 -19.2868
28 C8x C 21.6184 -16.5624
29 C8x C 24.0460 -16.5624
30 C8x C 22.8294 -17.2668
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 5 10 2
10 11 6 1 #Up
11 8 12 1
12 9 13 2
13 10 14 1
14 11 15 1
15 11 16 1
16 12 17 2
17 12 18 1
18 13 19 1
19 15 20 1
20 16 21 1
21 17 22 1
22 18 23 2
23 20 24 2
24 20 25 1
25 21 26 3
26 22 27 2
27 24 28 1
28 25 29 2
29 28 30 2
30 14 19 2
31 23 27 1
32 29 30 1
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