ATOM 29
1 C5a C 26.8462 -15.4261
2 C8y C 28.0518 -16.1301
3 O5a O 26.8462 -14.0310
4 C8x C 28.0575 -17.5311
5 C8x C 29.2583 -15.4318
6 C8y C 29.2641 -18.2281
7 C8x C 30.4696 -16.1243
8 C8y C 30.4755 -17.5253
9 C1b C 29.2641 -19.6220
10 O1a O 31.6808 -18.2094
11 C2b C 30.4755 -20.3260
12 C2c C 30.4755 -21.7212
13 C1a C 31.6808 -22.4181
14 C1a C 29.2641 -22.4181
15 N1b N 25.6200 -16.1350
16 C8y C 21.8765 -14.1452
17 C8y C 21.8765 -15.5298
18 C8y C 20.6803 -13.4623
19 O7x O 23.0783 -13.4449
20 C8y C 23.0842 -16.2255
21 C8x C 20.6803 -16.2312
22 C8y C 19.4903 -14.1452
23 X Cl 20.6746 -12.0952
24 C8y C 24.2930 -14.1335
25 C8y C 24.3046 -15.5355
26 O1a O 23.0842 -17.5983
27 C8x C 19.4903 -15.5298
28 O1a O 18.3129 -13.4682
29 O6a O 25.4773 -13.4507
BOND 31
1 1 15 1
2 1 2 1
3 1 3 2
4 2 4 1
5 2 5 2
6 4 6 2
7 5 7 1
8 6 8 1
9 6 9 1
10 8 10 1
11 9 11 1
12 11 12 2
13 12 13 1
14 12 14 1
15 7 8 2
16 16 17 2
17 16 18 1
18 16 19 1
19 17 20 1
20 17 21 1
21 18 22 2
22 18 23 1
23 19 24 1
24 20 25 2
25 20 26 1
26 21 27 2
27 22 28 1
28 24 29 2
29 25 15 1
30 22 27 1
31 24 25 1
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