ATOM 78
1 C1y C 25.2705 -20.6244
2 C1y C 25.9472 -19.4046
3 O2a O 23.6848 -20.5800
4 C1y C 25.9803 -21.8220
5 O2x O 27.3445 -19.3824
6 C1b C 25.2374 -18.2070
7 C1y C 22.2987 -20.6022
8 C1y C 27.3776 -21.8111
9 O1a O 25.2927 -23.0418
10 C1y C 28.0652 -20.5909
11 O1a O 23.8401 -18.2179
12 O2x O 21.5780 -19.4746
13 C1y C 21.6111 -21.8220
14 O1a O 28.0874 -22.9974
15 O2a O 29.4512 -20.5578
16 C1y C 20.1807 -19.4268
17 C1y C 20.2138 -21.8442
18 O1a O 22.3209 -23.0196
19 C1y C 30.8486 -20.5469
20 C1y C 19.5041 -20.6466
21 C1b C 19.4709 -18.2292
22 O1a O 19.5262 -23.0530
23 C1y C 31.5252 -19.3268
24 C1y C 31.5583 -21.7445
25 O2a O 18.1071 -20.6575
26 O1a O 18.0736 -18.2401
27 O2x O 32.9225 -19.3046
28 C1b C 30.8154 -18.1182
29 C1y C 32.9556 -21.7923
30 O1a O 30.8708 -22.9530
31 C1y C 16.7207 -20.6909
32 C1y C 33.6432 -20.5025
33 O1a O 29.4181 -18.1291
34 O1a O 33.6654 -22.9199
35 O2x O 16.0000 -19.5633
36 C1y C 16.0331 -21.9108
37 O2a O 35.0293 -20.4803
38 C1y C 14.6027 -19.5043
39 C1y C 14.6358 -21.9329
40 O1a O 16.7429 -23.0974
41 C1y C 36.4378 -20.4803
42 C1y C 13.9264 -20.7241
43 C1b C 13.8929 -18.3067
44 O1a O 13.9485 -23.1418
45 C1y C 37.1142 -19.2605
46 C1y C 37.1473 -21.6779
47 O2a O 12.3403 -20.6797
48 O1a O 12.4956 -18.3179
49 O2x O 38.5115 -19.2383
50 C1b C 36.4044 -18.0626
51 C1y C 38.5446 -21.6667
52 O1a O 36.4600 -22.8977
53 C1y C 10.9542 -20.7131
54 C1y C 39.2322 -20.4469
55 O1a O 35.0071 -18.0738
56 O1a O 39.2543 -22.8533
57 O2x O 10.2335 -19.5043
58 C1y C 10.2666 -21.9329
59 O2a O 40.6185 -20.4137
60 C1y C 8.8362 -19.5265
61 C1y C 8.8693 -21.9439
62 O1a O 10.9764 -23.1196
63 C1y C 42.0268 -20.4137
64 C1y C 8.1596 -20.7463
65 C1b C 8.1264 -18.3289
66 O1a O 8.1817 -23.1637
67 C1y C 42.7031 -19.1939
68 C1y C 42.7366 -21.6223
69 O1a O 6.7626 -20.7575
70 O1a O 6.7291 -18.3398
71 O2x O 44.1004 -19.1827
72 C1b C 41.9934 -17.9963
73 C1y C 44.1339 -21.6001
74 O1a O 42.0490 -22.8311
75 C1y C 44.8214 -20.3803
76 O1a O 40.5964 -18.0073
77 O1a O 44.8436 -22.7980
78 O1a O 46.2075 -20.3472
BOND 84
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 7 3 1 #Up
7 4 8 1
8 4 9 1 #Up
9 5 10 1
10 6 11 1
11 7 12 1
12 7 13 1
13 8 14 1 #Down
14 10 15 1 #Up
15 12 16 1
16 13 17 1
17 13 18 1 #Down
18 19 15 1 #Down
19 16 20 1
20 16 21 1 #Up
21 17 22 1 #Up
22 19 23 1
23 19 24 1
24 20 25 1 #Down
25 21 26 1
26 23 27 1
27 23 28 1 #Up
28 24 29 1
29 24 30 1 #Up
30 31 25 1 #Up
31 27 32 1
32 28 33 1
33 29 34 1 #Down
34 31 35 1
35 31 36 1
36 32 37 1 #Up
37 35 38 1
38 36 39 1
39 36 40 1 #Down
40 41 37 1 #Down
41 38 42 1
42 38 43 1 #Up
43 39 44 1 #Up
44 41 45 1
45 41 46 1
46 42 47 1 #Down
47 43 48 1
48 45 49 1
49 45 50 1 #Up
50 46 51 1
51 46 52 1 #Up
52 53 47 1 #Up
53 49 54 1
54 50 55 1
55 51 56 1 #Down
56 53 57 1
57 53 58 1
58 54 59 1 #Up
59 57 60 1
60 58 61 1
61 58 62 1 #Down
62 63 59 1 #Down
63 60 64 1
64 60 65 1 #Up
65 61 66 1 #Up
66 63 67 1
67 63 68 1
68 64 69 1 #Down
69 65 70 1
70 67 71 1
71 67 72 1 #Up
72 68 73 1
73 68 74 1 #Up
74 71 75 1
75 72 76 1
76 73 77 1 #Down
77 75 78 1 #Up
78 8 10 1
79 17 20 1
80 29 32 1
81 39 42 1
82 51 54 1
83 61 64 1
84 73 75 1
| 
