ATOM 25
1 C8x C 11.9700 -23.1700
2 C8x C 11.9700 -24.5700
3 C8x C 13.1824 -25.2700
4 C8y C 14.3949 -24.5700
5 C8y C 14.3949 -23.1700
6 C8y C 13.1824 -22.4700
7 N1b N 15.6260 -22.4590
8 C5a C 16.8312 -23.1547
9 C1b C 18.0135 -22.4719
10 O5a O 16.8316 -24.5696
11 N1c N 19.2075 -23.1612
12 C1b C 20.3954 -22.4752
13 C1b C 19.2077 -24.5697
14 C6a C 20.3994 -25.2578
15 O6a O 21.5845 -24.5735
16 O6a O 20.3997 -26.6697
17 C6a C 20.3954 -21.0752
18 O6a O 21.5908 -20.3848
19 O6a O 19.1617 -20.3629
20 C1c C 13.1824 -21.0702
21 C1a C 11.9532 -20.3603
22 C1a C 14.3780 -20.3798
23 C1c C 15.7660 -25.4910
24 C1a C 15.7660 -26.8910
25 C1a C 17.1660 -25.4910
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 8 10 2
11 9 11 1
12 11 12 1
13 11 13 1
14 13 14 1
15 14 15 1
16 14 16 2
17 12 17 1
18 17 18 1
19 17 19 2
20 6 20 1
21 20 21 1
22 20 22 1
23 4 23 1
24 23 24 1
25 23 25 1
|