ATOM 19
1 C8y C 19.7085 -15.9529
2 N1y N 20.9585 -15.3314
3 C8y C 22.2315 -15.9151
4 C8y C 22.5647 -17.2648
5 C8y C 19.4207 -17.3322
6 C1y C 21.7176 -18.3827
7 C1x C 20.3164 -18.4087
8 C8x C 23.9096 -17.6538
9 C8x C 24.9189 -16.6836
10 C8x C 24.5856 -15.3338
11 C8x C 23.2408 -14.9449
12 C8x C 18.6646 -15.0201
13 C8x C 17.3347 -15.4577
14 C8x C 17.0469 -16.8370
15 C8x C 18.0909 -17.7699
16 O1a O 22.3597 -19.6448
17 C5a C 20.9364 -13.9300
18 N1a N 19.7082 -13.2464
19 O5a O 22.1330 -13.2138
BOND 21
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 4 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 3 11 2
13 1 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 5 15 2
18 6 16 1
19 2 17 1
20 17 18 1
21 17 19 2
|