ATOM 35
1 C8y C 18.3400 -16.9400
2 C8y C 18.3400 -18.3400
3 C1x C 19.5524 -19.0400
4 C1z C 20.7649 -18.3400
5 C1y C 20.7649 -16.9400
6 N1y N 19.5524 -16.2400
7 C8y C 17.1276 -16.2400
8 C8y C 15.9151 -16.9400
9 C8y C 15.9151 -18.3400
10 C8x C 17.1276 -19.0400
11 O2x O 14.5836 -16.5074
12 N5x N 13.7607 -17.6400
13 C8y C 14.5836 -18.7726
14 N1y N 14.1525 -20.0994
15 C7x C 12.8125 -20.5347
16 O7x O 12.8125 -21.9436
17 C1x C 14.1524 -22.3790
18 C1y C 14.9806 -21.2392
19 O6a O 11.6665 -19.7023
20 C1a C 16.3797 -21.2392
21 C5x C 20.7649 -19.7400
22 N1x N 21.9773 -20.4400
23 C5x C 23.1897 -19.7400
24 N1x N 23.1897 -18.3400
25 C5x C 21.9773 -17.6400
26 C1y C 21.9773 -16.2400
27 O2x O 21.9773 -14.8400
28 C1y C 20.7649 -14.1400
29 C1x C 19.5524 -14.8400
30 C1a C 20.7649 -12.7402
31 O5x O 23.1897 -16.9400
32 C1a C 23.1897 -15.5400
33 O5x O 19.5714 -20.4293
34 O5x O 24.3873 -20.4315
35 X F 17.1276 -14.8402
BOND 40
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 8 11 1
13 11 12 1
14 12 13 2
15 9 13 1
16 13 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 14 18 1
22 15 19 2
23 18 20 1 #Up
24 4 21 1
25 21 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 4 25 1
30 5 26 1
31 26 27 1
32 27 28 1
33 28 29 1
34 6 29 1
35 28 30 1 #Up
36 25 31 2
37 26 32 1 #Up
38 21 33 2
39 23 34 2
40 7 35 1
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