ATOM 20
1 C1z C 23.4996 -16.1355
2 C1y C 23.0613 -14.8032
3 C1x C 24.8202 -16.6148
4 C5x C 22.3718 -16.9420
5 C1a C 23.4821 -17.5206
6 C1y C 23.8268 -13.6169
7 C2x C 21.6647 -14.8090
8 C1y C 26.0416 -15.8842
9 C2x C 21.2440 -16.1355
10 O5x O 22.3777 -18.3329
11 C1x C 25.2293 -13.4708
12 C1a C 23.1022 -12.4247
13 C1z C 27.3214 -16.4745
14 C1y C 26.1993 -14.4817
15 C7x C 28.2797 -15.4402
16 C1b C 27.5844 -17.8361
17 O1a O 28.6597 -16.8310
18 O7x O 27.5844 -14.2072
19 O6a O 29.6588 -15.6097
20 O1a O 26.5910 -18.8236
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 6 11 1
11 6 12 1 #Down
12 8 13 1
13 8 14 1
14 13 15 1
15 13 16 1
16 13 17 1
17 14 18 1
18 15 19 2
19 16 20 1
20 7 9 2
21 11 14 1
22 15 18 1
|