ATOM 63
1 C8y C 17.3600 -16.8000
2 C8x C 17.3600 -18.2000
3 C8y C 18.6200 -18.9000
4 C8y C 19.8100 -18.2000
5 C8y C 19.8100 -16.8000
6 C8x C 18.6200 -16.1000
7 C1y C 21.0000 -18.9000
8 C1y C 22.1900 -18.2000
9 C1y C 22.1900 -16.8000
10 O2x O 21.0000 -16.1000
11 O1a O 18.6200 -20.0900
12 O1a O 16.1700 -16.1000
13 C8y C 23.3800 -16.1000
14 C8y C 21.0000 -21.0000
15 C8y C 19.8100 -21.7000
16 C8x C 19.8100 -23.0300
17 C8y C 21.0000 -23.7300
18 C8y C 22.1900 -23.0300
19 C8y C 22.1900 -21.7000
20 O1a O 18.6200 -21.0000
21 C1y C 23.3800 -23.7300
22 C1y C 24.5700 -23.0300
23 C1y C 24.5700 -21.7000
24 O2x O 23.3800 -21.0000
25 C8x C 24.5700 -16.8000
26 C8y C 25.7600 -16.1000
27 C8y C 25.7600 -14.7000
28 C8x C 24.5700 -14.0700
29 C8x C 23.3800 -14.7700
30 O1a O 26.9500 -14.0000
31 O1a O 27.0200 -16.8000
32 O1a O 23.3800 -18.9000
33 O1a O 21.0000 -24.9200
34 C8y C 25.8300 -21.0000
35 O1a O 25.8300 -23.7300
36 C8x C 27.0200 -21.6300
37 C8y C 28.1400 -21.0000
38 C8y C 28.1400 -19.6000
39 C8x C 27.0200 -18.9000
40 C8x C 25.8300 -19.6000
41 O1a O 29.3300 -18.9000
42 O1a O 29.3300 -21.7000
43 C8y C 23.3800 -25.8300
44 C8y C 22.1900 -26.5300
45 C8x C 22.1900 -27.9300
46 C8y C 23.4500 -28.6300
47 C8y C 24.5700 -27.9300
48 C8y C 24.5700 -26.5300
49 O1a O 21.0700 -25.8300
50 C1x C 25.7600 -28.6300
51 C1y C 26.9500 -27.9300
52 C1y C 26.9500 -26.5300
53 O2x O 25.7600 -25.8300
54 C8y C 28.2100 -25.8300
55 C8x C 29.4000 -26.4600
56 C8x C 28.2100 -24.4300
57 C8x C 29.4000 -23.7300
58 C8y C 30.6600 -24.4300
59 O1a O 31.8500 -23.7300
60 C8y C 30.6600 -25.8300
61 O1a O 31.7800 -26.5300
62 O1a O 28.2100 -28.6300
63 O1a O 23.4500 -29.8200
BOND 71
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 3 11 1
13 1 12 1
14 9 13 1 #Down
15 7 14 1 #Up
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 15 20 1
23 18 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 19 24 1
28 13 25 2
29 25 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 13 29 1
34 27 30 1
35 26 31 1
36 8 32 1 #Down
37 17 33 1
38 23 34 1 #Down
39 22 35 1 #Down
40 34 36 2
41 36 37 1
42 37 38 2
43 38 39 1
44 39 40 2
45 34 40 1
46 38 41 1
47 37 42 1
48 21 43 1 #Up
49 43 44 2
50 44 45 1
51 45 46 2
52 46 47 1
53 47 48 2
54 43 48 1
55 44 49 1
56 47 50 1
57 50 51 1
58 51 52 1
59 52 53 1
60 48 53 1
61 52 54 1 #Down
62 54 55 2
63 54 56 1
64 56 57 2
65 57 58 1
66 58 59 1
67 58 60 2
68 60 55 1
69 60 61 1
70 51 62 1 #Up
71 46 63 1
| 
