ATOM 15
1 C1y C 27.5817 -15.6708
2 C1y C 26.3620 -16.3685
3 C7x C 27.5817 -14.2740
4 N1b N 28.8014 -16.3685
5 C1y C 25.1490 -15.6708
6 O1a O 26.3678 -17.7713
7 O7x O 26.3620 -13.5749
8 O6a O 28.8014 -13.5749
9 C1y C 25.1490 -14.2740
10 O1a O 23.9469 -16.3685
11 C1b C 23.9469 -13.5749
12 O1a O 22.8761 -14.4742
13 C5a C 29.9824 -15.6800
14 R R 31.1949 -16.3800
15 O5a O 29.9795 -14.2801
BOND 15
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 2
8 5 9 1
9 5 10 1 #Down
10 9 11 1 #Up
11 11 12 1
12 7 9 1
13 4 13 1
14 13 14 1
15 13 15 2
|