ATOM 28
1 C8x C 25.9671 -17.5589
2 C8x C 24.7495 -18.2483
3 C8y C 27.1781 -18.2653
4 C8y C 27.1657 -19.6675
5 C7x C 28.4888 -20.1172
6 O7x O 29.3256 -18.9886
7 C1y C 28.5855 -17.8459
8 C1y C 28.5309 -16.4398
9 C8y C 27.3127 -15.7410
10 N1y N 29.7479 -15.7527
11 C8y C 27.3184 -14.3365
12 C8x C 26.1120 -16.4398
13 C1x C 29.7537 -14.3424
14 C1a C 30.9604 -16.4456
15 C8x C 26.1120 -13.6249
16 C1x C 28.5425 -13.6306
17 C8y C 24.8878 -15.7410
18 C8y C 24.8878 -14.3365
19 O2a O 23.6694 -16.4398
20 O2a O 23.6694 -13.6249
21 C1a C 22.4513 -15.7410
22 C1a C 22.4513 -14.3249
23 O6a O 28.9147 -21.4531
24 C8y C 25.9499 -20.3583
25 C8y C 24.8119 -19.6514
26 O2x O 23.6981 -20.5843
27 C1x C 24.2584 -21.8633
28 O2x O 25.6482 -21.7237
BOND 32
1 24 4 1
2 3 1 1
3 3 4 2
4 4 5 1
5 7 8 1
6 8 9 1
7 8 10 1
8 9 11 2
9 9 12 1
10 10 13 1
11 10 14 1
12 11 15 1
13 11 16 1
14 12 17 2
15 15 18 2
16 17 19 1
17 18 20 1
18 19 21 1
19 20 22 1
20 13 16 1
21 17 18 1
22 5 6 1
23 5 23 2
24 6 7 1
25 7 3 1
26 1 2 2
27 2 25 1
28 24 25 2
29 25 26 1
30 26 27 1
31 27 28 1
32 28 24 1
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