ATOM 25
1 C1y C 26.7045 -20.0158
2 C1y C 25.4575 -19.3223
3 C2y C 27.8292 -19.3398
4 N1y N 26.6521 -21.0822
5 O7x O 25.4575 -17.9586
6 C1x C 24.3385 -20.5286
7 C1x C 27.8292 -17.9645
8 C2x C 28.8665 -20.5286
9 C1x C 25.3701 -21.7232
10 C1x C 27.9051 -21.7232
11 C7x C 24.2628 -17.2709
12 O7x O 29.0298 -17.2826
13 C2y C 24.2628 -15.8956
14 O6a O 23.0739 -17.9645
15 C7x C 29.0355 -15.9015
16 C1x C 25.4575 -15.2022
17 C2b C 23.0739 -15.2022
18 C1z C 27.8409 -15.2080
19 O6a O 30.2244 -15.2022
20 C1y C 26.6521 -15.8956
21 C1a C 23.0681 -13.8036
22 C1b C 27.1415 -14.0133
23 O1a O 28.2022 -13.8735
24 C1a C 26.6462 -16.9909
25 O1a O 25.7488 -14.0016
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1 #Up
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 1
10 5 11 1
11 7 12 1
12 11 13 1
13 11 14 2
14 12 15 1
15 13 16 1
16 13 17 2
17 15 18 1
18 15 19 2
19 16 20 1
20 17 21 1
21 18 22 1 #Down
22 18 23 1 #Up
23 20 24 1 #Down
24 22 25 1
25 6 9 1
26 8 10 1
27 18 20 1
|