ATOM 22
1 C8x C 25.4100 -18.8300
2 C8x C 25.4100 -20.2300
3 C8x C 26.6700 -20.9300
4 C8y C 27.8600 -20.2300
5 C8y C 27.8600 -18.8300
6 C8x C 26.6700 -18.1300
7 C8x C 29.0500 -20.9300
8 C8x C 30.3100 -20.2300
9 C8x C 30.3100 -18.8300
10 C8y C 29.0500 -18.1300
11 C1b C 29.0500 -16.7300
12 N1c N 30.3100 -16.0300
13 C1b C 31.5000 -16.7300
14 C1a C 30.3100 -14.6300
15 C2b C 32.6900 -16.0300
16 C2b C 33.8800 -16.7300
17 C3b C 35.0700 -16.0300
18 C3b C 36.2600 -15.3300
19 C1d C 37.5200 -14.6300
20 C1a C 38.7100 -13.9300
21 C1a C 36.8200 -13.3700
22 C1a C 38.2200 -15.8200
BOND 23
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 12 14 1
16 13 15 1
17 15 16 2
18 16 17 1
19 17 18 3
20 18 19 1
21 19 20 1
22 19 21 1
23 19 22 1
|