ATOM 27
1 C1y C 28.7700 -22.2600
2 C2y C 28.7700 -23.6600
3 C2x C 29.9600 -24.3600
4 O2x O 31.2200 -23.6600
5 C1y C 31.2200 -22.2600
6 C1y C 29.9600 -21.5600
7 C1x C 29.9600 -20.2300
8 N1y N 28.7700 -19.4600
9 C1y C 27.5800 -20.2300
10 C1x C 27.5800 -21.5600
11 C1x C 28.4900 -18.1300
12 C1x C 27.0900 -17.9900
13 C1z C 26.5300 -19.2500
14 C8y C 24.2900 -19.3200
15 N1x N 24.7800 -20.7200
16 C5x C 26.1800 -20.7200
17 C8y C 25.4100 -18.4800
18 C8x C 25.2000 -17.0800
19 C8x C 23.9400 -16.5900
20 C8x C 22.8200 -17.4300
21 C8x C 22.9600 -18.8300
22 C7a C 27.5100 -24.3600
23 O7a O 26.3200 -23.6600
24 O6a O 27.5100 -25.7600
25 C1a C 25.1300 -24.3600
26 C1a C 32.4100 -21.5600
27 O5x O 27.0200 -21.7700
BOND 31
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 1 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 14 15 1
17 15 16 1
18 13 16 1 #Up
19 13 17 1 #Down
20 14 17 1
21 17 18 2
22 18 19 1
23 19 20 2
24 20 21 1
25 14 21 2
26 2 22 1
27 22 23 1
28 22 24 2
29 23 25 1
30 5 26 1 #Down
31 16 27 2
|