ATOM 79
1 C1c C 17.9200 -18.0600
2 N1b N 17.9200 -19.4600
3 C5a C 19.1100 -17.3600
4 C1y C 20.3000 -15.2600
5 N1y N 19.1100 -15.9600
6 C5a C 21.7700 -15.2600
7 N1c N 22.9600 -14.5600
8 C1c C 24.2200 -15.2600
9 C1x C 20.0200 -13.8600
10 C1x C 18.6200 -13.7200
11 C1x C 18.0600 -15.0500
12 C7a C 24.2200 -16.6600
13 O6a O 23.0300 -17.3600
14 O7a O 25.4800 -17.3600
15 C1c C 26.6700 -16.6600
16 C1c C 27.8600 -17.3600
17 C5a C 27.8600 -18.7600
18 N1b N 26.6000 -19.5300
19 C1c C 26.6000 -20.9300
20 C1c C 25.4100 -21.6300
21 C1b C 24.2200 -20.9300
22 C7a C 23.0300 -21.6300
23 O7a O 21.8400 -20.9300
24 C5a C 17.2200 -20.3000
25 C1c C 18.2000 -21.5600
26 C1c C 20.6500 -21.6300
27 C5a C 19.3900 -20.9300
28 O5a O 16.0300 -20.3000
29 O5a O 20.3000 -18.0600
30 C1b C 16.6600 -17.3600
31 C1c C 15.4700 -18.0600
32 C1a C 14.2800 -17.3600
33 C1a C 15.4700 -19.4600
34 O5a O 21.7700 -16.6600
35 O5a O 19.3900 -20.0200
36 C1a C 18.1300 -22.9600
37 C1c C 20.6500 -23.0300
38 O1a O 25.4800 -22.8900
39 C1b C 25.4800 -14.5600
40 C8y C 25.4800 -13.1600
41 C8x C 26.6700 -12.4600
42 C8x C 26.6700 -11.0600
43 C8y C 25.4100 -10.3600
44 C8x C 24.2200 -11.0600
45 C8x C 24.2200 -12.4600
46 O2a O 25.4100 -8.8900
47 C1a C 26.6700 -8.1900
48 C1a C 26.6700 -15.2600
49 N1b N 29.0500 -16.6600
50 C1c C 27.8600 -21.6300
51 C5a C 30.2400 -17.3600
52 C1c C 31.5000 -16.6600
53 N1c N 32.6900 -17.3600
54 C5a C 33.8800 -16.6600
55 C1y C 35.1400 -17.3600
56 C1x C 35.2800 -18.7600
57 C1x C 36.6800 -19.0400
58 C1x C 37.3800 -17.8500
59 N1y N 36.4000 -16.8000
60 C5a C 36.6800 -15.4000
61 C5a C 38.0800 -14.9800
62 O5a O 35.6300 -14.4900
63 C1a C 39.0600 -15.9600
64 O5a O 38.3600 -13.5800
65 O5a O 33.8800 -15.2600
66 C1b C 31.5000 -15.2600
67 C1c C 30.2400 -14.5600
68 C1a C 29.1900 -15.2600
69 C1a C 30.2400 -13.1600
70 O5a O 30.2400 -18.7600
71 C1a C 32.6900 -18.7600
72 O5a O 29.0500 -19.4600
73 C1a C 29.0500 -20.9300
74 C1b C 27.8600 -23.0300
75 C1a C 26.6000 -23.7300
76 O6a O 23.0300 -23.0300
77 C1a C 19.3900 -23.9400
78 C1a C 21.8400 -23.9400
79 C1a C 23.0300 -13.1600
BOND 82
1 1 2 1
2 1 3 1
3 4 5 1
4 3 5 1
5 4 6 1
6 6 7 1
7 7 8 1
8 4 9 1
9 9 10 1
10 10 11 1
11 5 11 1
12 8 12 1
13 12 13 2
14 12 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 2 24 1
25 24 25 1
26 23 26 1
27 26 27 1
28 27 25 1
29 24 28 2
30 3 29 2
31 1 30 1 #Up
32 30 31 1
33 31 32 1
34 31 33 1
35 6 34 2
36 27 35 2
37 25 36 1 #Down
38 26 37 1 #Up
39 20 38 1 #Up
40 8 39 1 #Up
41 39 40 1
42 40 41 2
43 41 42 1
44 42 43 2
45 43 44 1
46 44 45 2
47 40 45 1
48 43 46 1
49 46 47 1
50 15 48 1 #Down
51 16 49 1 #Down
52 19 50 1 #Down
53 49 51 1
54 51 52 1
55 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 56 57 1
60 57 58 1
61 58 59 1
62 55 59 1
63 59 60 1
64 60 61 1
65 60 62 2
66 61 63 1
67 61 64 2
68 54 65 2
69 52 66 1 #Up
70 66 67 1
71 67 68 1
72 67 69 1
73 51 70 2
74 53 71 1
75 17 72 2
76 50 73 1
77 50 74 1
78 74 75 1
79 22 76 2
80 37 77 1
81 37 78 1
82 7 79 1
| 
