ATOM 22
1 C1z C 23.5917 -17.6850
2 C8y C 23.5857 -16.3337
3 C1z C 24.7573 -18.3521
4 C1y C 22.4376 -18.3637
5 C8y C 22.4201 -15.6610
6 C8y C 24.7515 -15.6610
7 C1y C 25.9174 -17.6677
8 C1x C 24.7630 -19.6859
9 O1a O 25.9174 -19.2917
10 O2x O 21.7357 -17.0300
11 C5x C 22.4433 -19.6975
12 C8y C 22.4201 -14.3156
13 C1x C 25.9174 -16.3278
14 C8x C 24.7515 -14.3156
15 N1y N 27.0771 -18.3403
16 C1x C 23.6090 -20.3645
17 O5x O 21.2660 -20.3586
18 C8x C 23.5857 -13.6429
19 O1a O 21.2486 -13.6429
20 C1a C 28.4226 -18.3403
21 C1x C 27.0771 -17.0172
22 C1x C 24.7979 -16.9886
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1 #Down
10 4 11 1
11 5 12 2
12 6 13 1
13 6 14 1
14 7 15 1 #Up
15 8 16 1
16 11 17 2
17 12 18 1
18 12 19 1
19 15 20 1
20 5 10 1
21 7 13 1
22 11 16 1
23 14 18 2
24 1 22 1 #Up
25 22 21 1
26 15 21 1 #Up
|