ATOM 45
1 C1y C 36.1900 -25.2000
2 C1y C 35.0000 -24.5700
3 O2a O 36.1900 -26.6000
4 C1y C 37.3800 -24.5700
5 C1y C 35.0000 -23.1700
6 O7a O 33.7400 -25.2000
7 C1y C 34.9300 -27.3000
8 C1y C 37.3800 -23.1700
9 O1a O 38.5700 -25.2700
10 O2x O 36.1900 -22.4700
11 C1b C 33.7400 -22.4000
12 C7a C 32.5500 -24.5700
13 C1y C 34.9300 -28.7700
14 O2x O 33.7400 -26.6000
15 O2a O 38.5700 -22.4700
16 O1a O 33.7400 -21.0000
17 C2b C 31.3600 -25.2000
18 O6a O 32.5500 -23.1000
19 C1y C 33.7400 -29.4700
20 O1a O 36.1900 -29.4000
21 C1y C 32.5500 -27.3000
22 C1b C 39.8300 -23.1700
23 C2b C 30.1000 -24.5700
24 C1y C 32.5500 -28.7700
25 O1a O 33.7400 -30.8700
26 C1a C 31.2900 -26.6000
27 C1c C 41.0200 -22.4700
28 C8y C 28.9100 -25.2000
29 O1a O 31.2900 -29.4700
30 C8y C 42.2100 -23.1700
31 C8x C 27.7200 -24.5700
32 C8x C 28.9100 -26.6000
33 C8x C 43.4700 -22.4700
34 C8x C 42.2100 -24.5700
35 C8y C 26.4600 -25.2000
36 C8x C 27.7200 -27.3700
37 C8y C 44.6600 -23.1700
38 C8x C 43.4000 -25.2700
39 C8y C 26.4600 -26.6000
40 O1a O 25.2700 -24.5700
41 C8y C 44.6600 -24.5700
42 O1a O 45.8500 -22.4700
43 O1a O 25.2700 -27.3700
44 O1a O 45.8500 -25.2700
45 O1a O 41.0200 -21.0700
BOND 48
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 2 6 1 #Down
6 7 3 1 #Up
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1
13 7 14 1
14 8 15 1 #Up
15 11 16 1
16 12 17 1
17 12 18 2
18 13 19 1
19 13 20 1 #Down
20 14 21 1
21 15 22 1
22 17 23 2
23 19 24 1
24 19 25 1 #Down
25 21 26 1 #Down
26 22 27 1
27 23 28 1
28 24 29 1 #Up
29 27 30 1
30 28 31 1
31 28 32 2
32 30 33 2
33 30 34 1
34 31 35 2
35 32 36 1
36 33 37 1
37 34 38 2
38 35 39 1
39 35 40 1
40 37 41 2
41 37 42 1
42 39 43 1
43 41 44 1
44 8 10 1
45 21 24 1
46 36 39 2
47 38 41 1
48 27 45 1
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