ATOM 18
1 C1y C 26.8230 -21.9762
2 N4y N 27.9226 -20.0707
3 O2x O 25.7170 -21.1890
4 C1y C 26.4044 -23.2757
5 C8y C 26.7480 -19.3770
6 C8x C 29.1160 -19.3770
7 C1y C 24.6237 -21.9762
8 C1y C 25.0361 -23.2757
9 N4x N 26.7480 -18.0026
10 O5x O 25.5672 -20.0518
11 C8y C 29.1160 -18.0026
12 C1b C 23.3304 -21.5513
13 O1a O 24.2302 -24.3754
14 C8y C 27.9226 -17.3214
15 X F 30.2906 -17.3214
16 O1a O 22.3182 -22.4573
17 O5x O 27.9226 -15.9658
18 O1a O 27.2174 -24.3914
BOND 19
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 2
11 7 12 1 #Up
12 8 13 1 #Down
13 9 14 1
14 11 15 1
15 12 16 1
16 14 17 2
17 7 8 1
18 11 14 1
19 4 18 1 #Down
|