ATOM 23
1 N4y N 14.7700 -16.7300
2 C1b C 15.9600 -16.0300
3 C1b C 17.2200 -16.7300
4 S2a S 18.4100 -16.0300
5 C1b C 19.6000 -16.7300
6 C1c C 20.8600 -16.0300
7 C6a C 22.0500 -16.7300
8 O6a O 23.2400 -16.0300
9 N1b N 20.8600 -14.6300
10 C5a C 22.0500 -13.9300
11 C1a C 23.2400 -14.6300
12 O5a O 22.0500 -12.5300
13 O6a O 22.0500 -18.1300
14 N4x N 10.9900 -17.1500
15 C8y C 10.9900 -18.5500
16 N5x N 12.1800 -19.2500
17 C8y C 13.4400 -18.5500
18 C8y C 13.4400 -17.1500
19 C8y C 12.1800 -16.4500
20 N5x N 14.7700 -18.9700
21 C8x C 15.5400 -17.8500
22 O5x O 12.1800 -15.0500
23 N1a N 9.8000 -19.2500
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 6 9 1 #Down
9 9 10 1
10 10 11 1
11 10 12 2
12 7 13 2
13 14 15 1
14 15 16 2
15 16 17 1
16 17 18 2
17 18 19 1
18 14 19 1
19 17 20 1
20 20 21 2
21 21 1 1
22 18 1 1
23 19 22 2
24 15 23 1
|