ATOM 26
1 C8y C 26.0979 -15.9759
2 C8y C 27.3026 -15.2740
3 C8y C 26.1037 -17.3736
4 C8y C 24.8755 -15.2740
5 C1y C 28.5133 -15.9759
6 C8y C 27.3086 -13.8646
7 C8y C 27.2969 -18.0697
8 C8x C 24.8930 -18.0638
9 C8y C 24.8755 -13.8646
10 O2a O 23.6648 -15.9818
11 C1x C 28.5075 -17.3736
12 N1y N 29.7416 -15.2857
13 C8x C 26.0979 -13.1685
14 C1x C 28.5309 -13.1744
15 C8x C 27.2969 -19.4557
16 C8y C 24.8930 -19.4557
17 O2a O 23.6531 -13.1685
18 C1a C 22.4484 -15.2740
19 C1x C 29.7474 -13.8763
20 C1a C 30.9464 -15.9876
21 C8y C 26.0979 -20.1518
22 O2a O 23.6648 -20.1401
23 C1a C 22.4308 -13.8586
24 O2a O 26.0862 -21.5555
25 C1a C 22.4542 -19.4266
26 C1a C 24.8686 -22.2451
BOND 29
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 1
15 8 16 2
16 9 17 1
17 10 18 1
18 12 19 1
19 12 20 1
20 15 21 2
21 16 22 1
22 17 23 1
23 21 24 1
24 22 25 1
25 7 11 1
26 9 13 1
27 14 19 1
28 16 21 1
29 24 26 1
|