ATOM 33
1 C8x C 10.7800 -20.8600
2 C8y C 10.7800 -19.4600
3 N4y N 11.9700 -18.7600
4 C8y C 13.2300 -19.4600
5 C8y C 13.2300 -20.8600
6 C8x C 11.9700 -21.5600
7 N4y N 14.4200 -18.7600
8 C8y C 15.6100 -19.4600
9 C8x C 15.6100 -20.8600
10 N5x N 14.4200 -21.5600
11 O5x O 9.5900 -18.7600
12 O5x O 16.8000 -18.7600
13 C1x C 12.5300 -17.2900
14 C1y C 13.9300 -17.2900
15 C1b C 15.1200 -16.5900
16 N1y N 15.1200 -15.1900
17 C1x C 13.9300 -14.4900
18 C1x C 13.9300 -13.0900
19 C1y C 15.1200 -12.3900
20 C1x C 16.3800 -13.0900
21 C1x C 16.3800 -14.4900
22 N1b N 15.1200 -10.9900
23 C1b C 16.3100 -10.2900
24 C8y C 17.5000 -10.9900
25 C8x C 18.6900 -10.2900
26 C8y C 19.9500 -10.9900
27 C8y C 19.9500 -12.3900
28 C8x C 18.7600 -13.0900
29 N5x N 17.5000 -12.3900
30 C1x C 21.1400 -10.2900
31 C1x C 22.3300 -10.9900
32 C1x C 22.3300 -12.3900
33 O2x O 21.1400 -13.0900
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 5 10 1
12 2 11 2
13 8 12 2
14 3 13 1
15 13 14 1
16 14 7 1
17 14 15 1 #Up
18 15 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 16 21 1
25 19 22 1
26 22 23 1
27 23 24 1
28 24 25 2
29 25 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 24 29 1
34 26 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 27 33 1
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