ATOM 13
1 C8y C 26.4330 -24.1166
2 C1c C 27.6546 -23.4018
3 C8x C 26.4330 -25.5459
4 C8x C 25.1921 -23.4084
5 C1c C 28.8761 -24.1100
6 O1a O 27.6482 -22.1331
7 C8x C 25.1921 -26.2670
8 C8x C 23.9706 -24.1166
9 C6a C 30.0977 -23.3954
10 N1a N 28.9531 -25.5905
11 C8x C 23.9706 -25.5459
12 O6a O 31.3256 -24.1036
13 O6a O 30.1237 -22.1599
BOND 13
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 4 8 2
8 5 9 1
9 5 10 1 #Up
10 7 11 2
11 9 12 1
12 9 13 2
13 8 11 1
|