ATOM 45
1 C8y C 13.2358 -16.5925
2 C8x C 13.2358 -17.9929
3 C8x C 14.4261 -18.6931
4 C8y C 15.6164 -17.9929
5 C8y C 15.6164 -16.5925
6 C8y C 14.4261 -15.8923
7 N4x N 17.0168 -18.4830
8 C8y C 17.7870 -17.2927
9 C8y C 17.0168 -16.1724
10 C1z C 19.0474 -16.8726
11 C1y C 19.0474 -15.4722
12 C1x C 17.7870 -15.0521
13 C1z C 20.3077 -17.5027
14 C1z C 21.4980 -16.8726
15 C1x C 21.4980 -15.4722
16 C1x C 20.3077 -14.8420
17 C1x C 20.3077 -18.9731
18 C1x C 21.4980 -19.6733
19 C1y C 22.6884 -18.9731
20 C1z C 22.6884 -17.5027
21 O2x O 23.8786 -19.6733
22 C1y C 25.0689 -18.9731
23 C1y C 25.0689 -17.5027
24 C1y C 23.8786 -16.8726
25 C1a C 19.0474 -18.3430
26 C1d C 26.3293 -19.6733
27 C1a C 19.7476 -16.0323
28 O1a O 27.5196 -18.9731
29 C1a C 26.3293 -21.2838
30 C1a C 27.5196 -20.3735
31 O2x O 23.8786 -18.2729
32 O1a O 26.2592 -16.8025
33 O1a O 22.4783 -15.8923
34 C1x C 14.4261 -14.5619
35 C1y C 13.1658 -13.8617
36 C1y C 11.9755 -14.5619
37 C5x C 11.9755 -15.9623
38 O5x O 10.7842 -16.6985
39 C1z C 12.8677 -12.5133
40 O2x O 11.4931 -12.3801
41 C1z C 10.9417 -13.6462
42 C1a C 14.2204 -12.1509
43 C1a C 12.7540 -11.1372
44 C1a C 9.7289 -12.9460
45 C1a C 9.7289 -14.3464
BOND 53
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 9 12 1
15 10 13 1
16 13 14 1
17 14 15 1
18 15 16 1
19 11 16 1
20 13 17 1
21 17 18 1
22 18 19 1
23 19 20 1
24 14 20 1
25 19 21 1
26 21 22 1
27 22 23 1
28 23 24 1
29 20 24 1
30 10 25 1 #Down
31 22 26 1 #Up
32 13 27 1 #Up
33 26 28 1
34 26 29 1
35 26 30 1
36 20 31 1 #Down
37 24 31 1 #Down
38 23 32 1 #Down
39 14 33 1 #Down
40 6 34 1
41 34 35 1
42 36 37 1
43 1 37 1
44 36 35 1
45 37 38 2
46 35 39 1
47 39 40 1
48 40 41 1
49 36 41 1
50 39 42 1
51 39 43 1
52 41 44 1
53 41 45 1
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