ATOM 58
1 C8x C 20.9916 -21.3410
2 C8x C 20.9916 -19.9417
3 C8y C 22.2044 -19.2420
4 C8x C 23.4172 -19.9417
5 C8x C 23.4172 -21.3410
6 C8x C 22.2044 -22.0407
7 C8y C 22.2044 -17.8427
8 N5x N 21.0849 -17.0031
9 N5y N 21.5047 -15.6970 #+
10 N4y N 22.9040 -15.6970
11 N5x N 23.3238 -17.0031
12 C8x C 17.8198 -14.9973
13 C8y C 17.8198 -13.5980
14 C8x C 19.0326 -12.8518
15 C8x C 20.2453 -13.5980
16 C8y C 20.2453 -14.9973
17 C8y C 19.0326 -15.6970
18 C8y C 24.1169 -14.9973
19 C8x C 24.1169 -13.5980
20 C8x C 25.3296 -12.8983
21 C8y C 26.5423 -13.5980
22 C8x C 26.5423 -14.9973
23 C8x C 25.3296 -15.6970
24 C8y C 16.6070 -12.8983
25 C8x C 15.3943 -13.6447
26 C8y C 14.1816 -12.9450
27 C8y C 14.1816 -11.5457
28 C8x C 15.3476 -10.8460
29 C8x C 16.6070 -11.4990
30 N5y N 12.9687 -10.8460 #+
31 N4y N 11.5694 -10.8460
32 N5x N 11.1496 -9.4934
33 C8y C 12.2691 -8.7003
34 N5x N 13.3885 -9.4934
35 C8y C 7.9311 -12.9450
36 C8x C 7.9311 -11.5457
37 C8x C 9.1440 -10.8460
38 C8y C 10.3567 -11.5457
39 C8x C 10.3567 -12.9450
40 C8x C 9.1440 -13.6447
41 C8y C 12.2691 -7.3010
42 C8x C 11.0563 -6.6013
43 C8x C 11.0563 -5.2020
44 C8x C 12.2691 -4.5023
45 C8x C 13.4819 -5.2020
46 C8x C 13.4819 -6.6013
47 O2a O 12.9687 -13.6447
48 C1a C 12.9687 -15.0440
49 O2a O 19.0326 -17.0964
50 C1a C 17.8198 -17.7960
51 N2b N 27.7551 -12.8983 #+
52 O3a O 27.7551 -11.4990
53 O3a O 28.9678 -13.5980 #-
54 N2b N 6.7184 -13.6447 #+
55 O3a O 6.7184 -15.0440
56 O3a O 5.5057 -12.9450 #-
57 X Cl 15.3476 -9.4467 #-
58 X Cl 21.3648 -13.9712 #-
BOND 63
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 3 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 1
12 7 11 2
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 12 17 1
19 16 9 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 18 23 1
26 18 10 1
27 13 24 1
28 24 25 2
29 25 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 24 29 1
34 27 30 1
35 30 31 1
36 31 32 1
37 32 33 2
38 33 34 1
39 30 34 2
40 35 36 2
41 36 37 1
42 37 38 2
43 38 39 1
44 39 40 2
45 35 40 1
46 38 31 1
47 33 41 1
48 41 42 2
49 42 43 1
50 43 44 2
51 44 45 1
52 45 46 2
53 41 46 1
54 26 47 1
55 47 48 1
56 17 49 1
57 49 50 1
58 21 51 1
59 51 52 2
60 51 53 1
61 35 54 1
62 54 55 2
63 54 56 1
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