ATOM 60
1 C8y C 12.4600 -15.1200
2 C2b C 12.4600 -16.5200
3 C2b C 13.6500 -17.2200
4 C1a C 14.9100 -16.5200
5 C2b C 13.6500 -18.6200
6 C2b C 14.9100 -19.2500
7 C1c C 16.1000 -18.6200
8 C1c C 16.1000 -17.2200
9 N5x N 13.5800 -14.2800
10 C8y C 13.1600 -13.0200
11 O2x O 11.7600 -13.0200
12 C8x C 11.4100 -14.2800
13 C1c C 14.0000 -11.9000
14 C1c C 14.0000 -10.5000
15 C1b C 15.1900 -9.8000
16 C1c C 16.4500 -10.5000
17 C2b C 17.5700 -9.8000
18 C2b C 18.7600 -10.5000
19 C2b C 20.0200 -9.8000
20 C2b C 21.2100 -10.5000
21 C2b C 22.3300 -9.8000
22 C2b C 23.5900 -10.5000
23 C1a C 15.3300 -12.3200
24 O1a O 12.8100 -9.8000
25 O1a O 16.4500 -11.9000
26 C1c C 23.5900 -11.9000
27 C1a C 22.4000 -12.6000
28 C1c C 24.7800 -12.6000
29 O7a O 24.7800 -13.9300
30 C7a C 25.8300 -15.2600
31 C2b C 16.8000 -16.0300
32 C2c C 18.1300 -16.0300
33 C1a C 18.8300 -17.2200
34 C2b C 18.8300 -14.8400
35 C2b C 20.2300 -14.8400
36 C2b C 20.9300 -16.0300
37 C2b C 22.2600 -16.0300
38 C2b C 22.9600 -17.2200
39 C2b C 24.3600 -17.2200
40 O6a O 27.2300 -15.2600
41 O2a O 17.2900 -19.2500
42 C1c C 25.9700 -11.9000
43 C1c C 27.1600 -12.6000
44 C1b C 28.3500 -11.9000
45 C1c C 29.4700 -12.6000
46 C1a C 30.7300 -11.9000
47 C1a C 25.9700 -10.5000
48 O1a O 27.1600 -13.9300
49 O1a O 29.4700 -13.9300
50 C1y C 17.2900 -20.6500
51 C1y C 16.0300 -21.3500
52 C1y C 16.0300 -22.7500
53 C1y C 17.2200 -23.4500
54 C1y C 18.4800 -22.7500
55 O2x O 18.4800 -21.3500
56 C1a C 19.6700 -23.4500
57 O1a O 17.2200 -24.7800
58 O2a O 14.9100 -23.4500
59 O1a O 14.8400 -20.6500
60 C1a C 13.6738 -22.7929
BOND 62
1 1 2 1
2 2 3 2
3 3 5 1
4 5 6 2
5 6 7 1
6 7 8 1
7 4 8 1
8 1 9 1
9 9 10 2
10 10 11 1
11 11 12 1
12 1 12 2
13 10 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 13 23 1
24 14 24 1
25 16 25 1
26 22 26 1
27 26 27 1
28 26 28 1
29 28 29 1
30 29 30 1
31 31 32 2
32 32 33 1
33 32 34 1
34 34 35 2
35 35 36 1
36 36 37 2
37 37 38 1
38 38 39 2
39 31 8 1
40 30 39 1
41 30 40 2
42 7 41 1
43 28 42 1
44 42 43 1
45 43 44 1
46 44 45 1
47 45 46 1
48 42 47 1
49 43 48 1
50 45 49 1
51 50 41 1 #Down
52 50 51 1
53 51 52 1
54 52 53 1
55 53 54 1
56 54 55 1
57 50 55 1
58 54 56 1 #Down
59 53 57 1 #Up
60 52 58 1 #Down
61 51 59 1 #Up
62 58 60 1
|