ATOM 22
1 C8y C 29.1030 -18.8717
2 C8x C 30.4314 -18.8717
3 C8x C 31.0921 -17.7202
4 C8y C 30.4314 -16.5689
5 C8y C 29.1030 -16.5689
6 C8x C 28.4352 -17.7202
7 O7a O 27.0734 -19.9817
8 C7a C 28.4113 -19.9418
9 O6a O 29.0579 -21.1754
10 C1y C 26.3652 -18.7432
11 C1x C 25.3575 -17.2128
12 C1x C 25.3575 -18.2556
13 C1y C 23.8855 -17.2128
14 C1y C 23.8024 -18.2556
15 N1y N 23.0332 -16.2799
16 C1x C 22.8416 -17.8220
17 C1x C 22.3025 -18.9338
18 C1a C 23.0261 -14.8298
19 O2a O 31.0814 -15.4234
20 C1a C 30.4243 -14.2787
21 O2a O 28.4200 -15.3776
22 C1a C 29.1200 -14.1651
BOND 24
1 6 1 2
2 1 2 1
3 2 3 2
4 7 8 1
5 10 11 1
6 10 12 1
7 11 13 1
8 12 14 1
9 13 15 1
10 13 16 1
11 14 17 1
12 14 15 1
13 16 17 1
14 10 7 1 #Down
15 8 1 1
16 15 18 1
17 8 9 2
18 4 19 1
19 3 4 1
20 4 5 2
21 5 6 1
22 19 20 1
23 5 21 1
24 21 22 1
|