ATOM 22
1 X Cl 20.8600 -21.1400
2 C1y C 16.3800 -15.2600
3 C1y C 17.1500 -16.4500
4 C1y C 18.4800 -16.0300
5 C1y C 18.4800 -14.6300
6 O2x O 17.1500 -14.1400
7 O2x O 19.8100 -16.4500
8 C1z C 20.6500 -15.3300
9 O2x O 19.8800 -14.2100
10 C1a C 21.3500 -16.5200
11 C1a C 21.3500 -14.1400
12 C1c C 14.9800 -15.2600
13 O1a O 14.2800 -16.4500
14 C1b C 14.2800 -14.0700
15 O1a O 12.8800 -14.0700
16 O2a O 16.7300 -17.7800
17 C1b C 15.3300 -17.7800
18 C1b C 14.7000 -19.0400
19 C1b C 13.3000 -19.0400
20 N1c N 12.6000 -20.3000
21 C1a C 11.2000 -20.3000
22 C1a C 13.3700 -21.4900
BOND 22
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 2 6 1
6 4 7 1 #Down
7 7 8 1
8 8 9 1
9 5 9 1 #Down
10 8 10 1
11 8 11 1
12 2 12 1
13 12 13 1 #Down
14 12 14 1
15 14 15 1
16 3 16 1 #Up
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 20 22 1
|