ATOM 30
1 C8x C 10.5000 -12.3900
2 C8x C 10.5000 -13.7900
3 C8x C 11.7124 -14.4900
4 C8y C 12.9249 -13.7900
5 C8y C 12.9249 -12.3900
6 C8y C 11.7124 -11.6900
7 C1x C 14.1373 -14.4900
8 C1y C 15.3497 -13.7900
9 O7x O 15.3497 -12.3900
10 C7x C 14.1373 -11.6900
11 O1a O 11.7124 -10.2902
12 O6a O 14.1373 -10.2900
13 C1c C 16.5424 -14.4900
14 N1b N 17.7549 -13.7900
15 C5a C 18.9673 -14.4900
16 C1c C 20.1797 -13.7900
17 C1c C 21.3922 -14.4900
18 C1c C 22.6046 -13.7900
19 C1b C 23.8170 -14.4900
20 C5a C 25.0295 -13.7900
21 N1a N 26.2419 -14.4900
22 C1b C 16.5374 -15.8899
23 O5a O 18.9673 -15.8900
24 O1a O 20.1797 -12.3901
25 N1a N 22.6046 -12.3900
26 O5a O 25.0295 -12.3903
27 O1a O 21.3922 -15.8897
28 C1c C 15.3250 -16.5899
29 C1a C 14.1164 -15.8921
30 C1a C 15.3250 -17.9900
BOND 31
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1 #Down
10 9 10 1
11 5 10 1
12 6 11 1
13 10 12 2
14 8 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 13 22 1 #Up
24 15 23 2
25 16 24 1 #Up
26 18 25 1 #Up
27 20 26 2
28 17 27 1 #Down
29 22 28 1
30 28 29 1
31 28 30 1
| 
