ATOM 66
1 C1y C 27.4527 -11.2172
2 C1y C 26.1319 -11.2225
3 O2x O 25.4414 -12.4071
4 C1y C 26.1414 -13.5862
5 C1y C 27.4623 -13.5808
6 C1y C 28.1527 -12.3963
7 O2x O 26.1523 -16.2974
8 C1y C 27.4731 -16.2921
9 O2a O 28.1628 -14.8989
10 C1y C 25.4618 -17.4820
11 C1y C 26.1617 -18.6610
12 C1y C 27.4826 -18.6557
13 C1y C 28.1731 -17.4711
14 O1a O 29.4735 -12.3909
15 O1a O 28.1826 -19.8348
16 O1a O 28.1432 -10.0326
17 O1a O 29.4940 -17.4658
18 O2a O 25.4320 -10.0434
19 C1y C 23.6245 -10.0507
20 C1y C 22.8645 -11.2356
21 O2x O 22.8943 -18.6742
22 C1y C 23.5943 -19.8532
23 O2a O 25.4713 -19.8456
24 C1y C 22.8550 -8.9421
25 C1y C 21.5341 -8.8773
26 C1y C 20.8437 -10.0619
27 O2x O 21.5436 -11.2409
28 C1y C 21.5734 -18.6795
29 C1y C 20.8831 -19.8641
30 C1y C 21.5830 -21.0431
31 C1y C 22.9038 -21.0378
32 O1a O 23.6037 -22.2169
33 O1a O 20.8342 -7.6982
34 O1a O 23.5454 -7.6873
35 O2a O 19.0362 -10.0691
36 O1a O 20.8925 -22.2277
37 O2a O 19.0755 -19.8714
38 O2x O 19.0661 -17.5077
39 C1y C 18.4451 -18.7622
40 C1y C 18.4153 -11.2535
41 C1y C 19.0457 -12.4327
42 C1y C 17.0248 -11.2591
43 C1y C 16.4039 -12.4434
44 C1y C 17.0344 -13.6227
45 O2x O 18.4247 -13.6171
46 C1y C 18.4356 -16.3284
47 C1y C 17.0453 -16.3340
48 C1y C 16.4243 -17.5183
49 C1y C 17.0547 -18.6976
50 O1a O 16.3944 -10.0797
51 O2a O 16.3447 -15.0159
52 O1a O 15.0339 -17.5239
53 O1a O 15.0136 -12.4490
54 O1a O 16.4338 -19.8819
55 C1b C 20.8562 -17.4363
56 C1b C 19.1508 -15.1297
57 C1b C 20.4167 -12.4269
58 C1b C 23.5373 -12.4607
59 C1b C 25.4462 -14.8127
60 C1b C 24.0651 -17.4875
61 O1a O 21.5684 -16.4441
62 O1a O 20.5540 -15.1297
63 O1a O 21.1183 -13.6421
64 O1a O 23.1742 -13.8161
65 O1a O 24.0908 -14.8706
66 O1a O 23.3635 -16.2246
BOND 72
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 7 8 1
8 8 9 1 #Down
9 5 9 1 #Down
10 7 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 6 14 1 #Up
16 12 15 1 #Up
17 1 16 1 #Down
18 13 17 1 #Down
19 2 18 1 #Down
20 19 18 1 #Down
21 19 20 1
22 22 21 1
23 22 23 1 #Down
24 11 23 1 #Down
25 19 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 20 27 1
30 21 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 22 31 1
35 31 32 1 #Down
36 25 33 1 #Down
37 24 34 1 #Up
38 26 35 1 #Down
39 30 36 1 #Up
40 29 37 1 #Down
41 38 39 1
42 39 37 1 #Down
43 40 35 1 #Down
44 40 41 1
45 40 42 1
46 42 43 1
47 43 44 1
48 44 45 1
49 41 45 1
50 38 46 1
51 46 47 1
52 47 48 1
53 48 49 1
54 39 49 1
55 42 50 1 #Up
56 44 51 1 #Down
57 47 51 1 #Down
58 48 52 1 #Up
59 43 53 1 #Down
60 49 54 1 #Down
61 28 55 1 #Up
62 46 56 1 #Up
63 41 57 1 #Up
64 20 58 1 #Up
65 4 59 1 #Up
66 10 60 1 #Up
67 55 61 1
68 56 62 1
69 57 63 1
70 58 64 1
71 59 65 1
72 60 66 1
| 
