ATOM 25
1 C1c C 25.9000 -17.8500
2 C1b C 24.7100 -17.1500
3 C6a C 27.0900 -17.0800
4 N1a N 25.9000 -19.2500
5 C1b C 23.5900 -17.8500
6 O6a O 28.2800 -17.7800
7 O6a O 27.0900 -15.7500
8 C1b C 22.3300 -17.2200
9 C1b C 21.1400 -17.9200
10 C1y C 16.0300 -14.9100
11 C1y C 16.0300 -16.3100
12 O2x O 17.2200 -14.2100
13 C1b C 14.8400 -14.2100
14 C1y C 17.2200 -16.9400
15 O1a O 14.8400 -16.9400
16 C1y C 18.4800 -14.9100
17 O2b O 13.7900 -15.1200
18 C1y C 18.4800 -16.3100
19 O1a O 17.2200 -18.3400
20 O1a O 19.6700 -14.2100
21 N1b N 19.6700 -16.9400
22 P1b P 12.3900 -15.1200
23 O1c O 12.3900 -13.7200
24 O1c O 10.9900 -15.1200
25 O1c O 12.3900 -16.5200
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 2
7 5 8 1
8 8 9 1
9 10 11 1
10 10 12 1
11 10 13 1 #Up
12 11 14 1
13 11 15 1 #Down
14 12 16 1
15 13 17 1
16 14 18 1
17 14 19 1 #Up
18 16 20 1 #Up
19 18 21 1 #Down
20 16 18 1
21 9 21 1
22 17 22 1
23 22 23 1
24 22 24 1
25 22 25 2
|