ATOM 24
1 C8x C 25.4935 -21.8779
2 C8x C 25.4935 -19.0777
3 C8y C 26.7020 -19.7777
4 C8y C 26.6959 -21.1778
5 N5x N 27.9054 -21.8830
6 C8y C 27.9174 -19.0830
7 C8y C 24.2781 -21.1778
8 C8y C 24.2748 -19.7774
9 O2x O 22.9420 -19.3475
10 C1x C 22.1214 -20.4825
11 O2x O 22.9472 -21.6136
12 C8y C 29.1268 -19.7881
13 C8y C 29.1242 -21.1924
14 O2x O 30.4591 -21.6287
15 C8x C 31.2865 -20.4943
16 C8x C 30.4632 -19.3567
17 O2a O 27.9198 -17.6846
18 C1b C 26.7107 -16.9847
19 C1c C 26.7107 -15.5917
20 C1d C 25.5013 -14.8917
21 C1a C 25.5013 -13.4986
22 O1a O 27.9268 -14.8917
23 C1a C 24.2923 -15.5917
24 O1a O 24.2923 -14.1844
BOND 27
1 11 7 1
2 3 4 2
3 4 5 1
4 5 13 2
5 12 6 2
6 6 3 1
7 12 13 1
8 13 14 1
9 14 15 1
10 15 16 2
11 16 12 1
12 2 8 2
13 6 17 1
14 17 18 1
15 7 1 2
16 18 19 1
17 1 4 1
18 19 20 1
19 3 2 1
20 20 21 1
21 7 8 1
22 19 22 1
23 8 9 1
24 9 10 1
25 20 23 1
26 10 11 1
27 20 24 1
|