ATOM 27
1 C1x C 19.9431 -20.7679
2 N1y N 19.9431 -22.1664
3 C1x C 21.1542 -22.8657
4 C1x C 22.3655 -22.1664
5 C1y C 22.3655 -20.7679
6 C1x C 21.1542 -20.0687
7 O7a O 23.6017 -20.0687
8 C7a C 24.8130 -20.7679
9 C1d C 26.0241 -20.0687
10 C8y C 27.2352 -20.7679
11 C8x C 28.4464 -20.0687
12 C8x C 29.6575 -20.7679
13 C8y C 26.0241 -18.6702
14 C8x C 27.2373 -17.9697
15 C8x C 27.2373 -16.5712
16 C8x C 26.0261 -15.8719
17 C8x C 24.8130 -16.5724
18 C8x C 24.8130 -17.9709
19 C8x C 27.2352 -22.1664
20 C8x C 28.4464 -22.8657
21 C8x C 29.6575 -22.1664
22 O2a O 27.2352 -19.3694
23 C1b C 28.4464 -18.6702
24 C1b C 29.6782 -19.3816
25 C1a C 30.8831 -18.6861
26 O6a O 24.8130 -22.1662
27 C1a C 18.7320 -22.8657
BOND 29
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 2
13 9 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 13 18 2
20 10 19 2
21 19 20 1
22 20 21 2
23 21 12 1
24 9 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 8 26 2
29 2 27 1
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