ATOM 39
1 C8x C 12.6660 -12.3162
2 C8y C 14.0656 -12.3162
3 C8x C 14.4855 -13.6457
4 O2x O 13.3658 -14.4855
5 C8y C 12.2462 -13.6457
6 C1b C 11.0565 -14.3455
7 N1b N 9.7969 -13.6457
8 C1b C 15.2552 -11.6164
9 O2a O 16.5148 -12.3162
10 C8y C 17.7045 -11.6164
11 C8x C 18.9641 -12.3162
12 C8x C 20.2237 -11.6164
13 C8y C 20.2237 -10.2168
14 C8x C 18.9641 -9.5170
15 C8x C 17.7045 -10.2168
16 C1b C 21.4133 -9.5170
17 C1b C 22.6029 -10.2168
18 C4a C 8.6073 -14.3455
19 N1b N 23.7926 -9.5170
20 C5a C 24.9822 -10.2168
21 O5a O 24.9822 -11.4764
22 C1b C 26.2418 -9.5170
23 C1b C 27.4314 -10.2168
24 C1c C 27.4314 -11.6164
25 C6a C 28.6211 -12.3162
26 N1b N 26.2418 -12.3162
27 O6a O 28.6211 -13.7157
28 O6a O 29.8807 -11.6164
29 C5a C 26.2418 -13.7157
30 C1b C 24.9822 -14.4155
31 O5a O 27.4314 -14.4155
32 C1b C 23.7926 -13.7157
33 C1c C 22.6029 -14.4155
34 C6a C 21.3433 -13.7157
35 O6a O 21.3433 -12.3162
36 O6a O 20.1537 -14.4155
37 N1b N 22.6029 -15.8151
38 O4a O 7.3477 -13.6457
39 R R 22.6029 -17.2151
BOND 40
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 5 2
6 5 6 1
7 6 7 1
8 2 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
17 13 16 1
18 16 17 1
19 7 18 1
20 17 19 1
21 19 20 1
22 20 21 2
23 20 22 1
24 22 23 1
25 23 24 1
26 24 25 1 #Up
27 24 26 1
28 25 27 1
29 25 28 2
30 26 29 1
31 29 30 1
32 29 31 2
33 30 32 1
34 32 33 1
35 33 34 1 #Down
36 34 35 2
37 34 36 1
38 33 37 1
39 18 38 2
40 37 39 1
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