ATOM 25
1 C1z C 26.5212 -14.7961
2 C1y C 25.3314 -14.1020
3 O2x O 26.5095 -13.3964
4 C7x C 26.5212 -16.1725
5 C1x C 27.7166 -14.1020
6 C1a C 24.1301 -14.7961
7 O7x O 27.7166 -16.8607
8 O6a O 25.3314 -16.8664
9 C1y C 28.9181 -14.7961
10 C1y C 27.7166 -18.2254
11 C1z C 30.1020 -14.1079
12 C1a C 28.9122 -15.8925
13 C1y C 28.9005 -18.9136
14 C1x C 26.5970 -19.4325
15 C7x C 31.2976 -14.8019
16 C1a C 29.4079 -12.9064
17 O1a O 30.4694 -12.7723
18 N1y N 28.9181 -19.9808
19 C2y C 30.0903 -18.2428
20 C1x C 27.6351 -20.6280
21 O7x O 31.2917 -16.1842
22 O6a O 32.4872 -14.1020
23 C1x C 30.1720 -20.6280
24 C2x C 31.1285 -19.4325
25 C1x C 30.0903 -16.8664
BOND 28
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1
5 2 6 1
6 4 7 1
7 4 8 2
8 5 9 1
9 10 7 1 #Up
10 9 11 1
11 9 12 1 #Down
12 10 13 1
13 10 14 1
14 11 15 1
15 11 16 1 #Down
16 11 17 1 #Up
17 13 18 1
18 13 19 1
19 14 20 1
20 15 21 1
21 15 22 2
22 18 23 1
23 19 24 2
24 19 25 1
25 2 3 1 #Down
26 18 20 1
27 21 25 1
28 23 24 1
|