ATOM 36
1 C1y C 18.9700 -18.4800
2 C1y C 18.9700 -19.8800
3 O2x O 20.1600 -17.7800
4 C1b C 17.7100 -17.7800
5 C1y C 20.1600 -20.5800
6 O1a O 17.7100 -20.5800
7 C1y C 21.4200 -18.4800
8 C1y C 21.4200 -19.8800
9 O1a O 20.1600 -21.9100
10 O1a O 22.6100 -20.5800
11 C1y C 21.4200 -14.2800
12 C1y C 21.4200 -15.6800
13 O2x O 22.6100 -13.5800
14 C1b C 20.1600 -13.5800
15 C1y C 22.6100 -16.3800
16 O1a O 20.1600 -16.3800
17 C1y C 23.8700 -14.2800
18 O1a O 19.1100 -14.4900
19 C1y C 23.8700 -15.6800
20 O2a O 22.6100 -17.7800
21 O1a O 25.0600 -13.5800
22 O1a O 25.0600 -16.3800
23 P1b P 15.0887 -18.7645
24 O2b O 13.6950 -18.7011
25 O2b O 16.4827 -18.7645
26 O1c O 15.0887 -17.3707
27 O1c O 15.0824 -20.1649
28 C1y C 12.4874 -19.4584
29 C1y C 12.4874 -20.8586
30 O2x O 11.2734 -18.7710
31 C1y C 11.2734 -21.5587
32 O1a O 13.6950 -21.5587
33 C1x C 10.0529 -19.4584
34 C1y C 10.0529 -20.8586
35 O1a O 11.2734 -22.9591
36 O1a O 8.8518 -21.5587
BOND 38
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 5 8 1
8 5 9 1 #Up
9 8 10 1 #Up
10 7 8 1
11 11 12 1
12 11 13 1
13 11 14 1 #Up
14 12 15 1
15 12 16 1 #Down
16 13 17 1
17 14 18 1
18 15 19 1
19 15 20 1 #Up
20 17 21 1 #Down
21 19 22 1 #Up
22 17 19 1
23 7 20 1 #Down
24 23 24 1
25 23 25 1
26 23 26 1
27 23 27 2
28 28 24 1 #Down
29 28 29 1
30 28 30 1
31 29 31 1
32 29 32 1 #Down
33 30 33 1
34 31 34 1
35 31 35 1 #Up
36 34 36 1 #Down
37 33 34 1
38 4 25 1
|