ATOM 45
1 C8y C 12.5927 -16.6600
2 C8y C 12.5927 -18.0658
3 C8x C 13.7876 -18.6984
4 C8y C 14.9826 -18.0658
5 C8y C 14.9826 -16.6600
6 C8y C 13.7876 -15.9571
7 N4x N 16.3181 -18.4875
8 C8y C 17.1616 -17.3629
9 C8y C 16.3181 -16.2382
10 C1z C 18.4269 -16.9411
11 C1y C 18.4269 -15.5353
12 C1y C 17.1616 -15.1136
13 C1z C 19.6921 -17.5738
14 C1z C 20.8871 -16.9411
15 C1x C 20.8871 -15.5353
16 C1x C 19.6921 -14.8324
17 C1x C 19.6921 -18.9796
18 C1x C 20.8871 -19.6825
19 C1y C 22.0820 -18.9796
20 C1z C 22.0820 -17.5738
21 O2x O 23.2770 -19.6825
22 C1y C 24.4719 -18.9796
23 C1y C 24.4719 -17.5738
24 C1y C 23.2770 -16.9411
25 C1a C 18.4272 -18.3470
26 O1a O 22.0820 -16.2382
27 C1a C 19.1298 -16.0976
28 O2x O 23.2770 -18.2767
29 C1z C 13.7876 -14.5512
30 C1y C 12.5927 -13.8483
31 C2y C 11.3977 -14.5512
32 C1x C 11.3977 -15.9571
33 C1y C 14.4906 -13.3563
34 C1x C 13.2253 -12.6534
35 X Cl 11.3977 -18.7687
36 C2a C 10.1325 -13.8483
37 O1a O 14.9826 -15.2541
38 O2x O 17.1616 -13.7077
39 C1z C 15.8261 -13.0048
40 C1a C 16.8102 -11.9504
41 C1a C 14.8420 -11.9504
42 C1z C 25.8778 -18.9796
43 O2x O 25.8778 -17.5738
44 C1a C 25.8778 -20.3854
45 C1a C 27.0952 -19.6825
BOND 55
1 1 2 1
2 2 3 2
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 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 14 26 1 #Down
32 13 27 1 #Up
33 20 28 1 #Down
34 24 28 1 #Down
35 6 29 1
36 29 30 1
37 30 31 1
38 31 32 1
39 1 32 1
40 29 33 1
41 33 34 1
42 30 34 1
43 2 35 1
44 31 36 2
45 29 37 1 #Down
46 12 38 1
47 33 39 1
48 38 39 1
49 39 40 1
50 39 41 1
51 22 42 1
52 42 43 1
53 23 43 1
54 42 44 1
55 42 45 1
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