ATOM 27
1 C8x C 15.4282 -14.1207
2 C8x C 14.7490 -15.3448
3 C8x C 15.4695 -16.5452
4 C8y C 16.8693 -16.5214
5 C8y C 17.5486 -15.2972
6 C8x C 16.8280 -14.0968
7 C5x C 17.8237 -17.5457
8 C1y C 19.0928 -16.9546
9 C5x C 18.9228 -15.5650
10 O5x O 19.9435 -14.6140
11 C5a C 20.2913 -17.6196
12 C1c C 20.3152 -19.5094
13 O5a O 21.4917 -16.8991
14 C8y C 21.5392 -20.1886
15 C8y C 19.1314 -20.2198
16 C8x C 21.5629 -21.5690
17 C8x C 22.7871 -22.2481
18 C8y C 23.9173 -21.5274
19 C8x C 23.9637 -20.1471
20 C8x C 22.7395 -19.4679
21 C8x C 17.8991 -19.5360
22 C8x C 16.6988 -20.2566
23 C8x C 16.7226 -21.6564
24 C8x C 17.9550 -22.3401
25 C8x C 19.0853 -21.6196
26 X Cl 25.2202 -22.2114
27 O5x O 17.5520 -18.9379
BOND 30
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 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 9 10 2
12 8 11 1
13 11 12 1
14 11 13 2
15 12 14 1
16 12 15 1
17 14 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 14 20 1
23 15 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 15 25 1
29 18 26 1
30 7 27 2
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