ATOM 19
1 C8x C 14.0456 -17.4240
2 C8x C 14.0456 -18.7643
3 C8x C 15.2448 -19.4697
4 C8y C 16.5145 -18.7643
5 C8y C 16.5145 -17.4240
6 C8x C 15.2448 -16.7186
7 N4x N 17.7843 -19.2580
8 C8x C 18.6307 -18.1294
9 C8y C 17.7843 -17.0008
10 C1c C 18.2075 -15.6605
11 C1y C 19.6183 -15.3783
12 C1a C 17.2905 -14.6024
13 N2x N 21.4524 -14.0381
14 C5x C 20.0416 -14.0381
15 O2x O 20.7470 -16.2248
16 C2y C 21.8756 -15.3783
17 O5x O 19.2076 -12.9001
18 N1b N 23.2189 -15.8096
19 C1a C 24.2622 -14.8634
BOND 21
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 9 10 1
12 10 11 1
13 10 12 1 #Up
14 13 14 1
15 14 11 1
16 15 16 1
17 13 16 2
18 11 15 1 #Up
19 14 17 2
20 16 18 1
21 18 19 1
|