ATOM 51
1 C1y C 28.2543 -16.2672
2 C1y C 27.7312 -17.5633
3 C8y C 27.7314 -15.0465
4 C1y C 29.6493 -16.3660
5 C1y C 26.4466 -18.1038
6 C8y C 28.8007 -18.4526
7 C8y C 26.4001 -14.4479
8 C8x C 28.8124 -14.2502
9 C8y C 29.9807 -17.7202
10 C8y C 25.1622 -17.5865
11 C8x C 28.7714 -19.8476
12 C1y C 25.1156 -14.9942
13 C8y C 26.3597 -13.0529
14 C8y C 28.8420 -12.8552
15 C8y C 31.2129 -18.3771
16 C8y C 24.6100 -16.2962
17 C8y C 24.3194 -18.7142
18 C8y C 30.0737 -20.5102
19 C1y C 24.1972 -13.9363
20 O2x O 24.9238 -12.7390
21 C8x C 27.5747 -12.2623
22 O1a O 29.8411 -12.0648
23 C8x C 31.2536 -19.7721
24 O1a O 32.3987 -17.6506
25 C8x C 23.2149 -16.1335
26 C8x C 22.9243 -18.5456
27 O1a O 24.3077 -20.1033
28 O1a O 30.1143 -21.9111
29 C8y C 22.3721 -17.2553
30 O1a O 20.9830 -17.0984
31 C8y C 22.8116 -13.8440
32 C8x C 22.0175 -12.6333
33 C8x C 22.1509 -15.0456
34 C8x C 20.6226 -12.6154
35 C8x C 20.6918 -15.0276
36 C8y C 20.0239 -13.8767
37 O1a O 18.6346 -13.8587
38 C8y C 30.8479 -15.6541
39 C8x C 32.0557 -16.3543
40 C8x C 30.8525 -14.2561
41 C8x C 33.2648 -15.6568
42 C8x C 32.0616 -13.5643
43 C8y C 33.2648 -14.2618
44 O1a O 34.4794 -13.5702
45 C8y C 26.4582 -19.5047
46 C8x C 25.2493 -20.2139
47 C8x C 27.6731 -20.1906
48 C8x C 25.2609 -21.6087
49 C8x C 27.6847 -21.5914
50 C8y C 26.4758 -22.2946
51 O1a O 26.4874 -23.6955
BOND 59
1 14 22 1
2 15 23 2
3 15 24 1
4 16 25 1
5 17 26 2
6 17 27 1
7 18 28 1
8 25 29 2
9 29 30 1
10 6 9 2
11 12 16 1
12 14 21 1
13 18 23 1
14 19 20 1
15 26 29 1
16 19 31 1 #Down
17 1 2 1
18 1 3 1
19 1 4 1
20 2 5 1
21 2 6 1
22 3 7 2
23 31 32 2
24 31 33 1
25 32 34 1
26 33 35 2
27 34 36 2
28 36 37 1
29 35 36 1
30 3 8 1
31 4 38 1 #Down
32 4 9 1
33 5 10 1
34 6 11 1
35 7 12 1
36 7 13 1
37 8 14 2
38 38 39 1
39 38 40 2
40 39 41 2
41 40 42 1
42 41 43 1
43 43 44 1
44 42 43 2
45 9 15 1
46 5 45 1 #Down
47 10 16 2
48 10 17 1
49 11 18 2
50 12 19 1
51 13 20 1
52 13 21 2
53 45 46 1
54 45 47 2
55 46 48 2
56 47 49 1
57 48 50 1
58 50 51 1
59 49 50 2
|