ATOM 38
1 C8y C 15.8197 -21.5566
2 C8x C 15.8197 -22.9639
3 C8x C 17.0384 -23.6676
4 C8x C 18.2572 -22.9639
5 C8y C 18.2572 -21.5566
6 C8y C 17.0384 -20.8529
7 N1b N 19.4947 -20.8419
8 C5a C 20.7063 -21.5412
9 N1c N 21.8947 -20.8548
10 C1b C 23.0949 -21.5477
11 C1b C 24.2890 -20.8582
12 C1b C 25.4862 -21.5494
13 C8y C 26.6818 -20.8591
14 C8x C 27.8783 -21.5499
15 C8x C 29.0971 -20.8463
16 C8y C 29.0971 -19.4390
17 C8x C 27.9006 -18.7482
18 C8x C 26.6819 -19.4518
19 O2a O 30.3288 -18.7278
20 C1d C 31.5430 -19.4287
21 C6a C 32.7302 -18.7431
22 C1a C 30.8394 -20.6474
23 C1a C 32.2466 -20.6474
24 C1b C 21.8946 -19.4459
25 C1b C 23.0956 -18.7522
26 C8y C 23.0957 -17.3351
27 C8y C 24.2931 -16.6436
28 C8x C 24.2929 -15.2363
29 C8x C 23.0741 -14.5328
30 C8x C 21.8767 -15.2243
31 C8y C 21.8769 -16.6315
32 X Cl 17.0384 -19.4459
33 X Cl 14.6010 -20.8529
34 X F 25.4842 -17.3313
35 X Cl 20.6541 -17.3378
36 O5a O 20.7068 -22.9635
37 O6a O 33.9310 -19.4365
38 O6a O 32.7302 -17.3350
BOND 40
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 13 18 2
20 16 19 1
21 19 20 1
22 20 21 1
23 20 22 1
24 20 23 1
25 9 24 1
26 24 25 1
27 25 26 1
28 26 27 2
29 27 28 1
30 28 29 2
31 29 30 1
32 30 31 2
33 26 31 1
34 6 32 1
35 1 33 1
36 27 34 1
37 31 35 1
38 8 36 2
39 21 37 1
40 21 38 2
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