ATOM 45
1 O1a O 26.6700 -21.6300
2 C1y C 27.8600 -20.9300
3 C1y C 29.1200 -21.7000
4 C1x C 30.3100 -21.0000
5 C1y C 30.3100 -19.6000
6 C1y C 29.1200 -18.9000
7 C1y C 27.8600 -19.6000
8 N1a N 29.1200 -23.1000
9 O2a O 26.6700 -18.9000
10 N1a N 31.5700 -18.9000
11 O2a O 29.1200 -17.5000
12 C1y C 30.3100 -16.8000
13 O2x O 31.5000 -17.5000
14 C1y C 32.6900 -16.8000
15 C1y C 32.6900 -15.4000
16 C1y C 31.5000 -14.7000
17 C1y C 30.3100 -15.4000
18 C1b C 33.9500 -17.5000
19 N1a N 29.0500 -14.7000
20 O1a O 31.5000 -13.3000
21 O1a O 33.8800 -14.7000
22 N1a N 33.9500 -18.9000
23 C1y C 23.4500 -20.6500
24 C1y C 24.8500 -20.6500
25 C1y C 25.2700 -19.3200
26 O2x O 24.1500 -18.4800
27 C1y C 23.0300 -19.3200
28 C1b C 21.7000 -18.9000
29 O1a O 20.6500 -19.8100
30 O2a O 22.6100 -21.7700
31 O1a O 25.6900 -21.7700
32 C1y C 18.9700 -22.4700
33 C1y C 18.9700 -23.8700
34 C1y C 20.1600 -24.5700
35 C1y C 21.4200 -23.8700
36 C1y C 21.4200 -22.4700
37 O2x O 20.1600 -21.7700
38 N1b N 22.6100 -24.5700
39 O1a O 17.7800 -24.5700
40 O1a O 20.1600 -25.9700
41 C1b C 17.7800 -21.7700
42 O1a O 16.5900 -22.4700
43 C5a C 22.6100 -25.9700
44 O5a O 21.4200 -26.6700
45 C1a C 23.8000 -26.6700
BOND 48
1 2 1 1 #Down
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 2 7 1
8 3 8 1 #Up
9 7 9 1 #Up
10 5 10 1 #Up
11 6 11 1 #Down
12 12 11 1 #Down
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 12 17 1
19 14 18 1 #Up
20 17 19 1 #Down
21 16 20 1 #Up
22 15 21 1 #Down
23 18 22 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 23 27 1
29 27 28 1 #Up
30 28 29 1
31 23 30 1 #Down
32 24 31 1 #Down
33 25 9 1 #Up
34 32 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 32 37 1
40 36 30 1 #Down
41 35 38 1 #Down
42 33 39 1 #Down
43 34 40 1 #Up
44 32 41 1 #Up
45 41 42 1
46 38 43 1
47 43 44 2
48 43 45 1
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