ATOM 18
1 C1y C 27.6445 -18.9476
2 C1y C 28.5180 -20.0407
3 C1y C 27.9487 -17.5878
4 C2y C 26.2564 -19.0778
5 C1y C 29.9267 -20.0328
6 O7x O 28.0900 -21.3791
7 C1x C 26.7458 -16.8736
8 C2y C 29.2129 -16.9701
9 C1y C 25.6949 -17.8006
10 C2a C 25.5500 -20.2791
11 C2y C 30.3675 -21.3725
12 C1x C 30.7916 -18.9295
13 C7x C 29.2339 -22.2007
14 C1x C 30.4811 -17.5671
15 C2a C 29.2036 -15.5745
16 O1a O 24.3351 -17.4963
17 O6a O 29.2430 -23.5963
18 C2a C 31.6951 -21.7991
BOND 20
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 1
14 8 15 2
15 9 16 1 #Up
16 13 17 2
17 7 9 1
18 11 13 1
19 12 14 1
20 11 18 2
|