ATOM 24
1 C1y C 20.1600 -19.6700
2 C1y C 21.5600 -19.6700
3 C1z C 20.8600 -18.4100
4 C2b C 18.9000 -18.9700
5 C7a C 22.7500 -18.9700
6 C1a C 20.1600 -17.2200
7 C1a C 21.5600 -17.2200
8 C2c C 17.7100 -19.6700
9 O7a O 23.9400 -19.6700
10 O6a O 22.7500 -17.5700
11 C1a C 17.7100 -21.0700
12 C1a C 16.5200 -18.9700
13 C1y C 25.2000 -18.9700
14 C2y C 26.6000 -18.9700
15 C1x C 24.7800 -17.6400
16 C2y C 27.0200 -17.6400
17 C1a C 27.3700 -20.0900
18 C5x C 25.9000 -16.8000
19 C1b C 28.2100 -16.9400
20 O5x O 25.9000 -15.4000
21 C2b C 29.4000 -17.6400
22 C2b C 30.6600 -16.9400
23 C1b C 30.6600 -15.5400
24 C1a C 31.8500 -14.8400
BOND 25
1 2 5 1 #Down
2 3 6 1
3 3 7 1
4 4 8 2
5 5 9 1
6 5 10 2
7 8 11 1
8 8 12 1
9 13 9 1 #Up
10 13 14 1
11 13 15 1
12 14 16 2
13 14 17 1
14 15 18 1
15 16 19 1
16 18 20 2
17 19 21 1
18 21 22 2
19 2 3 1
20 16 18 1
21 1 2 1
22 1 3 1
23 1 4 1 #Up
24 22 23 1
25 23 24 1
|