ATOM 34
1 C8x C 26.0955 -22.9284
2 C8x C 26.0955 -21.5550
3 C8y C 27.2850 -20.8647
4 C8y C 28.4674 -21.5550
5 C8x C 28.4674 -22.9284
6 C8x C 27.2850 -23.6114
7 C8y C 23.7423 -17.8223
8 C8y C 23.7423 -16.4489
9 C8x C 24.9317 -15.7586
10 C8x C 24.9317 -18.5053
11 C8y C 26.1212 -17.8223
12 C8y C 26.1153 -16.4489
13 O2x O 27.2989 -15.7533 #+
14 C8y C 27.3109 -18.5001
15 C8y C 28.4944 -17.8120
16 C8y C 28.4817 -16.4421
17 C8x C 29.6660 -15.7429
18 C8y C 30.8556 -16.4203
19 C8y C 30.8683 -17.7902
20 C8x C 29.6912 -18.4822
21 C7a C 29.6514 -20.8647
22 O7a O 30.8347 -21.5621
23 C1b C 32.0248 -20.8718
24 C1a C 33.2080 -21.5690
25 C1a C 32.0530 -18.4842
26 N1b N 32.0390 -15.7303
27 C1b C 33.2222 -16.4278
28 C1a C 34.4125 -15.7374
29 N1b N 22.5452 -15.7655
30 C1b C 21.3549 -16.4558
31 C1a C 20.1575 -15.7726
32 C1a C 22.5452 -18.5053
33 O6a O 29.7145 -19.4913
34 X Cl 27.3180 -13.5362 #-
BOND 36
1 1 2 1
2 2 3 2
3 7 8 1
4 8 9 2
5 15 16 1
6 16 17 1
7 17 18 2
8 18 19 1
9 19 20 2
10 20 15 1
11 14 3 1
12 9 12 1
13 4 21 1
14 11 10 1
15 21 22 1
16 10 7 2
17 22 23 1
18 3 4 1
19 23 24 1
20 4 5 2
21 19 25 1
22 5 6 1
23 18 26 1
24 6 1 2
25 26 27 1
26 11 12 2
27 27 28 1
28 12 13 1
29 8 29 1
30 13 16 2
31 29 30 1
32 15 14 2
33 30 31 1
34 14 11 1
35 7 32 1
36 21 33 2
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