ATOM 45
1 C8y C 12.6756 -16.2476
2 C8y C 12.6756 -17.6485
3 C8x C 13.8664 -18.2789
4 C8y C 15.0571 -17.6485
5 C8y C 15.0571 -16.2476
6 C8y C 13.8664 -15.5472
7 N4x N 16.3879 -18.0687
8 C8y C 17.2284 -16.9481
9 C8y C 16.3879 -15.8274
10 C1z C 18.4892 -16.5278
11 C1y C 18.4892 -15.1269
12 C1y C 17.2284 -14.7067
13 C1z C 19.7500 -17.1582
14 C1z C 20.9407 -16.5278
15 C1x C 20.9407 -15.1269
16 C1x C 19.7500 -14.4265
17 C1x C 19.7500 -18.5591
18 C1x C 20.9407 -19.2595
19 C1y C 22.1315 -18.5591
20 C1z C 22.1315 -17.1582
21 O2x O 23.3222 -19.2595
22 C1y C 24.5129 -18.5591
23 C1y C 24.5129 -17.1582
24 C1y C 23.3222 -16.5278
25 C1a C 18.4893 -17.9287
26 O1a O 22.1315 -15.8274
27 C2c C 25.7737 -19.2595
28 C1a C 19.1897 -15.6873
29 O1a O 25.7737 -16.4578
30 C2a C 25.7737 -20.8705
31 C1a C 26.9869 -18.5591
32 O2x O 23.3446 -17.8586
33 C1z C 13.8550 -14.1463
34 C1y C 12.6361 -13.4558
35 C2y C 11.4454 -14.1562
36 C1x C 11.4568 -15.5571
37 C1y C 14.5456 -12.9276
38 C1x C 13.3267 -12.2369
39 X Cl 11.4625 -18.3489
40 C2a C 10.1993 -13.4501
41 O1a O 15.0681 -14.8468
42 O2x O 17.2284 -13.3058
43 C1z C 15.8987 -12.5650
44 C1a C 16.8892 -11.5744
45 C1a C 14.9081 -11.5744
BOND 54
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 22 27 1 #Up
33 13 28 1 #Up
34 23 29 1 #Up
35 27 30 2
36 27 31 1
37 20 32 1 #Down
38 24 32 1 #Down
39 6 33 1
40 33 34 1
41 34 35 1
42 35 36 1
43 1 36 1
44 33 37 1
45 37 38 1
46 34 38 1
47 2 39 1
48 35 40 2
49 33 41 1 #Down
50 12 42 1
51 37 43 1
52 42 43 1
53 43 44 1
54 43 45 1
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