ATOM 20
1 C1z C 28.0540 -18.8780
2 C1z C 28.0483 -20.2092
3 C1y C 26.8924 -18.2132
4 C1y C 29.2157 -18.2190
5 C1y C 28.0424 -17.5528
6 C1y C 29.1981 -20.8754
7 N1y N 26.9098 -20.8694
8 C1x C 26.8924 -19.5442
9 C1y C 25.7469 -18.8780
10 O2x O 25.7353 -17.5704
11 C1x C 30.3598 -18.8897
12 C7x C 30.3539 -17.5471
13 C1a C 28.9250 -16.3852
14 C1y C 30.3539 -20.2149
15 C1x C 29.1923 -22.2007
16 C1x C 25.7469 -20.2092
17 C1x C 26.9098 -22.1950
18 O7x O 31.4981 -19.5501
19 C1x C 28.0483 -22.8552
20 O6a O 30.7135 -16.2030
BOND 25
1 1 3 1
2 1 4 1
3 1 5 1 #Up
4 2 6 1
5 2 7 1
6 2 8 1 #Up
7 3 9 1
8 3 10 1
9 4 11 1
10 4 12 1 #Up
11 5 13 1
12 6 14 1
13 6 15 1
14 7 16 1
15 7 17 1
16 12 18 1
17 15 19 1
18 5 8 1
19 9 10 1
20 9 16 1
21 11 14 1
22 14 18 1 #Up
23 17 19 1
24 1 2 1
25 12 20 2
|