ATOM 21
1 O7a O 31.1500 -19.0400
2 C1y C 30.0300 -18.4100
3 C1x C 29.0500 -16.9400
4 C1x C 29.0500 -17.9200
5 C1y C 27.5800 -16.9400
6 C1y C 27.5100 -17.9200
7 N1y N 26.7400 -15.9600
8 C1x C 26.6000 -17.5000
9 C1x C 26.0400 -18.5500
10 C1a C 26.7400 -14.6300
11 C7a C 32.5500 -19.0400
12 C8y C 33.2500 -17.7800
13 O6a O 33.2500 -20.3000
14 C8y C 34.6500 -17.7800
15 C8y C 34.9300 -16.3800
16 N4x N 33.7400 -15.6800
17 C8x C 32.6900 -16.5900
18 C8x C 35.7000 -18.6900
19 C8x C 37.0300 -18.2700
20 C8x C 37.3100 -16.9400
21 C8x C 36.3300 -15.9600
BOND 24
1 2 4 1
2 3 5 1
3 4 6 1
4 5 7 1
5 5 8 1
6 6 9 1
7 6 7 1
8 8 9 1
9 2 1 1 #Down
10 2 3 1
11 7 10 1
12 1 11 1
13 11 12 1
14 11 13 2
15 12 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 12 17 2
20 14 18 2
21 18 19 1
22 19 20 2
23 20 21 1
24 15 21 2
|