ATOM 53
1 C8x C 29.2665 -13.6488
2 C8x C 29.2654 -16.4504
3 C8y C 28.0514 -15.7453
4 C8y C 28.0500 -14.3476
5 C8y C 30.4783 -15.7506
6 C8y C 30.4807 -14.3466
7 O2x O 31.6986 -13.6503
8 C8y C 31.6940 -16.4579
9 C8y C 32.9048 -15.7546
10 C8y C 32.9029 -14.3563
11 C8x C 34.1140 -13.6591
12 C8y C 35.3268 -14.3532
13 C8y C 35.3287 -15.7516
14 C8x C 34.1176 -16.4558
15 C8y C 31.6928 -17.8547
16 C8x C 32.8956 -18.5503
17 C8x C 32.8946 -19.9470
18 C8y C 31.6906 -20.6479
19 C8y C 30.4807 -19.9452
20 C8x C 30.4819 -18.5485
21 O2a O 29.2518 -20.6330
22 C1b C 28.0333 -21.3172
23 C1b C 26.8296 -20.6001
24 O2a O 25.6111 -21.2842
25 C8y C 24.4074 -20.5669
26 C8y C 23.1811 -21.2446
27 C8x C 21.9845 -20.5275
28 C8x C 22.0073 -19.1258
29 C8y C 23.2267 -18.4412
30 C8x C 24.4302 -19.1654
31 C1a C 23.2622 -17.0335
32 N1c N 31.6926 -22.0403
33 C1b C 32.9032 -22.7321
34 C6a C 34.1140 -22.0292
35 O6a O 35.3317 -22.7209
36 O6a O 34.1167 -20.6246
37 C1b C 30.4733 -22.7304
38 C6a C 30.4741 -24.1289
39 O6a O 31.6916 -24.8278
40 O6a O 29.2545 -24.8259
41 N1c N 23.1738 -22.6455
42 C1b C 24.3846 -23.3555
43 C1b C 21.9622 -23.3366
44 C6a C 24.3767 -24.7570
45 O6a O 25.5874 -25.4600
46 O6a O 23.1579 -25.4411
47 C6a C 20.7587 -22.6124
48 O6a O 20.7809 -21.2112
49 O6a O 19.5400 -23.3037
50 O1a O 26.8426 -13.6381
51 X Cl 26.8345 -16.4377
52 X Cl 36.5443 -16.4432
53 O5x O 36.5367 -13.6427
BOND 57
1 24 25 1
2 9 10 1
3 10 11 2
4 11 12 1
5 12 13 1
6 13 14 2
7 25 26 2
8 26 27 1
9 27 28 2
10 28 29 1
11 29 30 2
12 30 25 1
13 14 9 1
14 29 31 1
15 5 6 1
16 18 32 1
17 8 15 1
18 32 33 1
19 6 7 1
20 33 34 1
21 7 10 1
22 34 35 2
23 9 8 2
24 34 36 1
25 8 5 1
26 32 37 1
27 3 4 2
28 37 38 1
29 15 16 2
30 38 39 2
31 16 17 1
32 38 40 1
33 17 18 2
34 26 41 1
35 18 19 1
36 41 42 1
37 19 20 2
38 41 43 1
39 20 15 1
40 42 44 1
41 4 1 1
42 44 45 1
43 19 21 1
44 44 46 2
45 43 47 1
46 21 22 1
47 47 48 2
48 1 6 2
49 47 49 1
50 22 23 1
51 4 50 1
52 5 2 2
53 3 51 1
54 23 24 1
55 13 52 1
56 2 3 1
57 12 53 2
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