ATOM 44
1 C8y C 12.6727 -16.2430
2 C8y C 12.6727 -17.6432
3 C8x C 13.8629 -18.2733
4 C8y C 15.0531 -17.6432
5 C8y C 15.0531 -16.2430
6 C8y C 13.8629 -15.5429
7 N4x N 16.3833 -18.0633
8 C8y C 17.2235 -16.9431
9 C8y C 16.3833 -15.8229
10 C1z C 18.4837 -16.5230
11 C1y C 18.4837 -15.1228
12 C1y C 17.2235 -14.7027
13 C1z C 19.7439 -17.1532
14 C1z C 20.9341 -16.5230
15 C1x C 20.9341 -15.1228
16 C1x C 19.7439 -14.4227
17 C1x C 19.7439 -18.5534
18 C1x C 20.9341 -19.2535
19 C1y C 22.1244 -18.5534
20 C1z C 22.1244 -17.1532
21 O2x O 23.3146 -19.2535
22 C1y C 24.5048 -18.5534
23 C1y C 24.5048 -17.1532
24 C1y C 23.3146 -16.5230
25 C1a C 18.4837 -17.9233
26 O1a O 22.1244 -15.8229
27 C2c C 25.7650 -19.2535
28 C1a C 19.1838 -15.6829
29 O1a O 25.7650 -16.4530
30 C2a C 25.7650 -20.8638
31 C1a C 27.0252 -18.5534
32 O2x O 23.3146 -17.8533
33 C1y C 13.8629 -14.1426
34 C1y C 12.6727 -13.4425
35 C2y C 11.4825 -14.1426
36 C1x C 11.4825 -15.5429
37 C1y C 14.5630 -12.9524
38 C1x C 13.3028 -12.2523
39 X Cl 11.4825 -18.3434
40 C2a C 10.2222 -13.4425
41 O2x O 17.2235 -13.3025
42 C1z C 15.8933 -12.6023
43 C1a C 16.8734 -11.5522
44 C1a C 14.9131 -11.5522
BOND 53
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 12 41 1
50 37 42 1
51 41 42 1
52 42 43 1
53 42 44 1
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