ATOM 65
1 C8y C 24.0061 -31.8629
2 C8y C 24.0061 -30.4589
3 C8y C 22.7993 -32.5411
4 C8x C 25.2128 -32.5411
5 O2x O 25.2128 -29.7490 #+
6 C8x C 22.7993 -29.7490
7 O2a O 22.7993 -33.9372
8 C8x C 21.6005 -31.8629
9 C8y C 26.4274 -31.8629
10 C8y C 26.4274 -30.4589
11 C8y C 21.6005 -30.4589
12 C1y C 21.4427 -34.7890
13 O2a O 27.6737 -32.5568
14 C8y C 27.6342 -29.7490
15 O1a O 20.3937 -29.7490
16 O2x O 20.2201 -34.1580
17 C1y C 21.4280 -36.1692
18 C1y C 29.1012 -33.4166
19 C8x C 28.8567 -30.4589
20 C8x C 27.6342 -28.3530
21 C1y C 19.0371 -34.8915
22 C1y C 20.3148 -36.9265
23 O1a O 22.7284 -36.8396
24 O2x O 29.1397 -34.8048
25 C1y C 30.3000 -32.7382
26 C8x C 30.0555 -29.7490
27 C8x C 28.8410 -27.6510
28 C1y C 19.0145 -36.2639
29 C1b C 17.7988 -34.2369
30 O1a O 20.3622 -38.2831
31 C1y C 30.2607 -35.5146
32 C1y C 31.4990 -33.4402
33 O1a O 30.3158 -31.3658
34 C8y C 30.0555 -28.3372
35 O7a O 17.8935 -37.0054
36 O7a O 16.6000 -34.9231
37 C1y C 31.4832 -34.8364
38 C1b C 30.2369 -36.9027
39 O1a O 32.7136 -32.7778
40 O1a O 31.2545 -27.6510
41 C7a C 17.9328 -38.4171
42 C7a C 15.3774 -34.2369
43 O1a O 32.6585 -35.5541
44 O7a O 31.3885 -37.5969
45 C1b C 16.7340 -39.1585
46 O6a O 19.1712 -39.0798
47 C1b C 14.1787 -34.9231
48 O6a O 15.3774 -32.8409
49 C7a C 32.6347 -38.2989
50 C6a C 15.4879 -38.4880
51 C6a C 12.9719 -34.2369
52 C2b C 33.8495 -37.5969
53 O6a O 32.6347 -39.6871
54 O6a O 14.2969 -39.2296
55 O6a O 15.4483 -37.0763
56 O6a O 12.9719 -32.8409
57 O6a O 11.7651 -34.9231
58 C2b C 35.0324 -38.2989
59 C8y C 36.2470 -37.5969
60 C8x C 37.4302 -38.2989
61 C8x C 36.2392 -36.2088
62 C8x C 38.6448 -37.5969
63 C8x C 37.4302 -35.5303
64 C8y C 38.6448 -36.2088
65 O1a O 39.8436 -35.5303
BOND 70
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 2
10 6 11 2
11 12 7 1 #Up
12 9 13 1
13 10 14 1
14 11 15 1
15 12 16 1
16 12 17 1
17 18 13 1 #Up
18 14 19 2
19 14 20 1
20 16 21 1
21 17 22 1
22 17 23 1 #Down
23 18 24 1
24 18 25 1
25 19 26 1
26 20 27 2
27 21 28 1
28 21 29 1 #Up
29 22 30 1 #Up
30 24 31 1
31 25 32 1
32 25 33 1 #Down
33 26 34 2
34 28 35 1 #Down
35 29 36 1
36 31 37 1
37 31 38 1 #Up
38 32 39 1 #Up
39 34 40 1
40 35 41 1
41 36 42 1
42 37 43 1 #Down
43 38 44 1
44 41 45 1
45 41 46 2
46 42 47 1
47 42 48 2
48 44 49 1
49 45 50 1
50 47 51 1
51 49 52 1
52 49 53 2
53 50 54 1
54 50 55 2
55 51 56 1
56 51 57 2
57 52 58 2
58 58 59 1
59 59 60 2
60 59 61 1
61 60 62 1
62 61 63 2
63 62 64 2
64 64 65 1
65 8 11 1
66 9 10 1
67 22 28 1
68 27 34 1
69 32 37 1
70 63 64 1
| 
