ATOM 20
1 C8y C 26.6972 -20.4927
2 C8x C 26.7012 -21.8527
3 N4x N 24.3562 -21.8598
4 C8y C 24.3520 -20.4998
5 C8y C 25.4630 -19.8055
6 C1y C 27.8684 -18.4438
7 N1y N 29.0444 -17.7605
8 C1a C 30.2214 -18.4299
9 C2y C 26.6923 -17.7725
10 C2x C 26.6887 -16.4140
11 C1y C 27.8586 -15.7304
12 C5a C 27.8586 -14.3773
13 C1x C 29.0355 -16.4069
14 C8x C 23.1618 -19.8143
15 C8x C 23.1618 -18.4541
16 C8x C 24.3449 -17.7776
17 C8y C 25.5149 -18.4541
18 C1x C 27.8744 -19.8040
19 O5a O 29.0321 -13.6832
20 N1a N 26.6784 -13.6901
BOND 23
1 1 2 2
2 11 12 1 #Up
3 11 13 1
4 6 7 1
5 3 4 1
6 7 8 1
7 14 15 2
8 15 16 1
9 16 17 2
10 4 14 1
11 4 5 2
12 5 1 1
13 5 17 1
14 17 9 1
15 9 6 1
16 6 18 1
17 18 1 1
18 13 7 1
19 9 10 2
20 2 3 1
21 12 19 2
22 10 11 1
23 12 20 1
|