ATOM 62
1 C8y C 14.7000 -20.5800
2 C2b C 14.7000 -21.9800
3 C2b C 15.8900 -22.6800
4 C1a C 17.1500 -21.9800
5 C2b C 15.8900 -24.0800
6 C2b C 17.1500 -24.7800
7 C1c C 18.3400 -24.0800
8 C1c C 18.3400 -22.6800
9 N5x N 15.8200 -19.7400
10 C8y C 15.4000 -18.4100
11 O2x O 14.0000 -18.4100
12 C8x C 13.5800 -19.7400
13 C1c C 16.2400 -17.2900
14 C1c C 16.2400 -15.8900
15 C1b C 17.4300 -15.1900
16 C1c C 18.6900 -15.8900
17 C2b C 19.8800 -15.1900
18 C2b C 21.0700 -15.8900
19 C2b C 22.3300 -15.1900
20 C2b C 23.5200 -15.8900
21 C2b C 24.7100 -15.1900
22 C2b C 25.9700 -15.8900
23 C1a C 17.5700 -17.7100
24 O2a O 15.0500 -15.1900
25 O1a O 18.6900 -17.2900
26 C1c C 25.9700 -17.2900
27 C1a C 24.7800 -17.9900
28 C1c C 27.1600 -17.9900
29 O7a O 27.1600 -19.3900
30 C7a C 28.2100 -20.7200
31 C2b C 19.0400 -21.4900
32 C2c C 20.4400 -21.4900
33 C1a C 21.1400 -22.6800
34 C2b C 21.1400 -20.3000
35 C2b C 22.5400 -20.3000
36 C2b C 23.2400 -21.4900
37 C2b C 24.6400 -21.4900
38 C2b C 25.3400 -22.6800
39 C2b C 26.7400 -22.6800
40 O6a O 29.6099 -20.7026
41 O2a O 19.5553 -24.7751
42 C1c C 28.3724 -17.2900
43 C1c C 29.5849 -17.9900
44 C1b C 30.7973 -17.2900
45 C1c C 32.0097 -17.9900
46 C1a C 33.2222 -17.2900
47 C1a C 28.3724 -15.8902
48 O1a O 29.5849 -19.3898
49 O1a O 32.0097 -19.3899
50 C1a C 13.8319 -15.8801
51 C1y C 19.5553 -26.1751
52 C1y C 18.3218 -26.8874
53 C1y C 18.3220 -28.2874
54 C1y C 19.5345 -28.9872
55 C1y C 20.7679 -28.2749
56 O2x O 20.7678 -26.8749
57 C1a C 21.9991 -28.9857
58 O1a O 19.5346 -30.3800
59 O2a O 17.1263 -28.9779
60 C1a C 15.9326 -28.2887
61 O2a O 17.1199 -26.1934
62 C1a C 15.9359 -26.8771
BOND 64
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 24 50 1
52 51 41 1 #Down
53 51 52 1
54 52 53 1
55 53 54 1
56 54 55 1
57 55 56 1
58 51 56 1
59 55 57 1 #Down
60 54 58 1 #Up
61 53 59 1 #Down
62 59 60 1
63 52 61 1 #Up
64 61 62 1
|