ATOM 29
1 C1y C 25.0205 -25.3172
2 C1y C 26.4219 -25.3172
3 C1z C 25.7176 -24.0991
4 C1a C 26.4078 -22.8807
5 C1a C 24.7178 -23.1062
6 C1d C 21.3767 -24.6294
7 C2c C 22.6052 -25.3172
8 C2b C 23.8094 -24.6201
9 X F 20.1697 -25.3389
10 X F 21.3473 -23.2283
11 X F 20.1474 -23.9446
12 C8y C 31.2667 -25.3313
13 C8y C 32.4778 -24.6341
14 C8y C 33.6907 -25.3284
15 C8x C 33.6924 -26.7269
16 C8x C 32.4812 -27.4312
17 C8x C 31.2684 -26.7298
18 C7a C 27.6331 -24.6272
19 O7a O 28.8442 -25.3243
20 C1b C 30.0555 -24.6341
21 C8y C 34.8929 -24.6346
22 C8x C 34.8912 -23.2332
23 C8x C 36.1048 -22.5277
24 C8x C 37.3201 -23.2304
25 C8x C 37.3218 -24.6318
26 C8x C 36.1082 -25.3303
27 O6a O 27.6260 -23.2258
28 C1a C 32.4709 -23.2329
29 X Cl 22.6152 -26.7115
BOND 31
1 8 1 1
2 3 4 1
3 12 13 2
4 13 14 1
5 14 15 2
6 15 16 1
7 16 17 2
8 17 12 1
9 2 18 1
10 1 2 1
11 18 19 1
12 6 9 1
13 19 20 1
14 20 12 1
15 3 5 1
16 6 10 1
17 1 3 1
18 6 11 1
19 3 2 1
20 6 7 1
21 21 22 2
22 22 23 1
23 23 24 2
24 24 25 1
25 25 26 2
26 26 21 1
27 14 21 1
28 18 27 2
29 7 8 2
30 13 28 1
31 7 29 1
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