ATOM 20
1 C8y C 18.6200 -15.1200
2 C5a C 19.8800 -14.4200
3 C8x C 17.4300 -14.4200
4 C8x C 18.6200 -16.5200
5 N1y N 21.0700 -15.1200
6 C8y C 16.2400 -15.1200
7 C8y C 17.4300 -17.2200
8 C1x C 22.2600 -14.4200
9 C1x C 21.0700 -16.5200
10 C8y C 16.2400 -16.5200
11 O2a O 15.0500 -14.4200
12 O2a O 17.4300 -18.6200
13 C1x C 23.4500 -15.1200
14 C1x C 22.2600 -17.2200
15 O2a O 15.0500 -17.1500
16 C1a C 13.8600 -15.1200
17 O2x O 23.4500 -16.5200
18 O5a O 19.8800 -13.0200
19 C1a C 13.8506 -16.4279
20 C1a C 16.2147 -19.3151
BOND 21
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 1
8 5 9 1
9 6 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 9 14 1
14 10 15 1
15 11 16 1
16 13 17 1
17 7 10 2
18 14 17 1
19 2 18 2
20 15 19 1
21 12 20 1
|