0 mol 24 unq 0 iso 0 dist 6.2004 6.01284 6.86136 9.45579 7.31321 5.05643 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.2004 9.45579 7.31321 6.01284 6.86136 5.05643 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.59316 9.80137 17.3353 8.34893 15.8613 3.4604 numMergedOcc 0
3 mol 48 unq 0 iso 1 dist 7.59316 8.34893 15.8613 9.80137 17.3353 3.4604 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.51285 9.85865 17.3314 8.74946 16.1572 3.55124 numMergedOcc 0
5 mol 48 unq 1 iso 1 dist 7.51285 8.74946 16.1572 9.85865 17.3314 3.55124 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 7.62611 7.8435 14.9656 5.99269 11.5397 5.21654 numMergedOcc 0
7 mol 93 unq 0 iso 1 dist 7.62611 5.99269 11.5397 7.8435 14.9656 5.21654 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.62611 7.8435 14.9656 5.71763 5.43515 13.3531 numMergedOcc 0
9 mol 93 unq 1 iso 1 dist 7.62611 5.71763 5.43515 7.8435 14.9656 13.3531 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 7.62611 5.99269 11.5397 5.71763 5.43515 10.7398 numMergedOcc 0
11 mol 93 unq 1 iso 1 dist 7.62611 5.71763 5.43515 5.99269 11.5397 10.7398 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.8562 9.6121 12.8661 9.57341 5.37917 12.7135 numMergedOcc 0
13 mol 119 unq 0 iso 1 dist 8.8562 9.57341 5.37917 9.6121 12.8661 12.7135 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 7.91683 9.6121 13.3563 9.57341 15.7711 12.7135 numMergedOcc 0
15 mol 119 unq 1 iso 1 dist 7.91683 9.57341 15.7711 9.6121 13.3563 12.7135 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 9.30061 8.48313 16.1483 6.99345 11.5269 6.05407 numMergedOcc 0
17 mol 134 unq 0 iso 1 dist 9.30061 6.99345 11.5269 8.48313 16.1483 6.05407 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 9.30061 8.48313 16.1483 5.11043 6.93712 10.5379 numMergedOcc 0
19 mol 134 unq 1 iso 1 dist 9.30061 5.11043 6.93712 8.48313 16.1483 10.5379 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.30061 6.99345 11.5269 5.11043 6.93712 5.83782 numMergedOcc 0
21 mol 134 unq 1 iso 1 dist 9.30061 5.11043 6.93712 6.99345 11.5269 5.83782 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 6.95372 7.16698 6.11087 8.68663 4.06908 9.42812 numMergedOcc 0
23 mol 143 unq 0 iso 1 dist 6.95372 8.68663 4.06908 7.16698 6.11087 9.42812 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 4.5271 7.04815 3.87169 6.07389 5.65634 6.05141 numMergedOcc 0
25 mol 186 unq 0 iso 1 dist 4.5271 6.07389 5.65634 7.04815 3.87169 6.05141 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 7.02575 7.04815 8.65911 6.07389 3.87082 6.05141 numMergedOcc 0
27 mol 186 unq 1 iso 1 dist 7.02575 6.07389 3.87082 7.04815 8.65911 6.05141 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 5.68348 5.53324 4.002 6.72182 7.41775 9.10229 numMergedOcc 0
29 mol 194 unq 0 iso 1 dist 5.68348 6.72182 7.41775 5.53324 4.002 9.10229 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 9.08955 7.97027 4.67663 6.81955 9.32357 11.4035 numMergedOcc 0
31 mol 222 unq 0 iso 1 dist 9.08955 6.81955 9.32357 7.97027 4.67663 11.4035 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 9.08955 7.97027 4.67663 4.9876 6.37382 8.10209 numMergedOcc 0
33 mol 222 unq 1 iso 1 dist 9.08955 4.9876 6.37382 7.97027 4.67663 8.10209 numMergedOcc 0
34 mol 222 unq 1 iso 0 dist 9.08955 6.81955 9.32357 4.9876 6.37382 3.52491 numMergedOcc 0
35 mol 222 unq 1 iso 1 dist 9.08955 4.9876 6.37382 6.81955 9.32357 3.52491 numMergedOcc 0
36 mol 222 unq 2 iso 0 dist 8.88664 7.97027 4.00869 6.81955 12.2233 11.4035 numMergedOcc 0
37 mol 222 unq 2 iso 1 dist 8.88664 6.81955 12.2233 7.97027 4.00869 11.4035 numMergedOcc 0
38 mol 222 unq 3 iso 0 dist 8.88664 7.97027 4.00869 4.9876 9.60662 8.10209 numMergedOcc 0
39 mol 222 unq 3 iso 1 dist 8.88664 4.9876 9.60662 7.97027 4.00869 8.10209 numMergedOcc 0
40 mol 222 unq 3 iso 0 dist 8.88664 6.81955 12.2233 4.9876 9.60662 3.52491 numMergedOcc 0
41 mol 222 unq 3 iso 1 dist 8.88664 4.9876 9.60662 6.81955 12.2233 3.52491 numMergedOcc 0
42 mol 222 unq 4 iso 0 dist 7.16819 7.97027 6.23984 6.81955 8.87178 11.4035 numMergedOcc 0
43 mol 222 unq 4 iso 1 dist 7.16819 6.81955 8.87178 7.97027 6.23984 11.4035 numMergedOcc 0
44 mol 222 unq 5 iso 0 dist 7.16819 7.97027 6.23984 4.9876 7.13962 8.10209 numMergedOcc 0
45 mol 222 unq 5 iso 1 dist 7.16819 4.9876 7.13962 7.97027 6.23984 8.10209 numMergedOcc 0
46 mol 222 unq 5 iso 0 dist 7.16819 6.81955 8.87178 4.9876 7.13962 3.52491 numMergedOcc 0
47 mol 222 unq 5 iso 1 dist 7.16819 4.9876 7.13962 6.81955 8.87178 3.52491 numMergedOcc 0
48 mol 225 unq 0 iso 0 dist 9.23935 9.87668 18.9885 8.42121 16.1303 8.05944 numMergedOcc 0
49 mol 225 unq 0 iso 1 dist 9.23935 8.42121 16.1303 9.87668 18.9885 8.05944 numMergedOcc 0
50 mol 225 unq 1 iso 0 dist 9.23935 9.87668 18.9885 7.8744 3.94409 16.7885 numMergedOcc 0
51 mol 225 unq 1 iso 1 dist 9.23935 7.8744 3.94409 9.87668 18.9885 16.7885 numMergedOcc 0
52 mol 225 unq 2 iso 0 dist 9.23935 9.87668 18.9885 4.98402 7.96454 13.7858 numMergedOcc 0
53 mol 225 unq 2 iso 1 dist 9.23935 4.98402 7.96454 9.87668 18.9885 13.7858 numMergedOcc 0
54 mol 225 unq 1 iso 0 dist 9.23935 8.42121 16.1303 7.8744 3.94409 14.5755 numMergedOcc 0
55 mol 225 unq 1 iso 1 dist 9.23935 7.8744 3.94409 8.42121 16.1303 14.5755 numMergedOcc 0
56 mol 225 unq 2 iso 0 dist 9.23935 8.42121 16.1303 4.98402 7.96454 11.2712 numMergedOcc 0
57 mol 225 unq 2 iso 1 dist 9.23935 4.98402 7.96454 8.42121 16.1303 11.2712 numMergedOcc 0
58 mol 225 unq 2 iso 0 dist 9.23935 7.8744 3.94409 4.98402 7.96454 8.90802 numMergedOcc 0
59 mol 225 unq 2 iso 1 dist 9.23935 4.98402 7.96454 7.8744 3.94409 8.90802 numMergedOcc 0
60 mol 225 unq 3 iso 0 dist 7.77552 9.87668 17.5145 8.42121 14.5337 8.05944 numMergedOcc 0
61 mol 225 unq 3 iso 1 dist 7.77552 8.42121 14.5337 9.87668 17.5145 8.05944 numMergedOcc 0
62 mol 225 unq 4 iso 0 dist 7.77552 9.87668 17.5145 7.8744 6.88465 16.7885 numMergedOcc 0
63 mol 225 unq 4 iso 1 dist 7.77552 7.8744 6.88465 9.87668 17.5145 16.7885 numMergedOcc 0
64 mol 225 unq 5 iso 0 dist 7.77552 9.87668 17.5145 4.98402 4.45116 13.7858 numMergedOcc 0
65 mol 225 unq 5 iso 1 dist 7.77552 4.98402 4.45116 9.87668 17.5145 13.7858 numMergedOcc 0
66 mol 225 unq 4 iso 0 dist 7.77552 8.42121 14.5337 7.8744 6.88465 14.5755 numMergedOcc 0
67 mol 225 unq 4 iso 1 dist 7.77552 7.8744 6.88465 8.42121 14.5337 14.5755 numMergedOcc 0
68 mol 225 unq 5 iso 0 dist 7.77552 8.42121 14.5337 4.98402 4.45116 11.2712 numMergedOcc 0
69 mol 225 unq 5 iso 1 dist 7.77552 4.98402 4.45116 8.42121 14.5337 11.2712 numMergedOcc 0
70 mol 225 unq 5 iso 0 dist 7.77552 7.8744 6.88465 4.98402 4.45116 8.90802 numMergedOcc 0
71 mol 225 unq 5 iso 1 dist 7.77552 4.98402 4.45116 7.8744 6.88465 8.90802 numMergedOcc 0
72 mol 279 unq 0 iso 0 dist 9.30921 5.8304 11.0079 7.37478 9.53157 11.3734 numMergedOcc 0
73 mol 279 unq 0 iso 1 dist 9.30921 7.37478 9.53157 5.8304 11.0079 11.3734 numMergedOcc 0
74 mol 284 unq 0 iso 0 dist 9.63007 9.07503 14.7394 7.63256 14.5604 4.7381 numMergedOcc 0
75 mol 284 unq 0 iso 1 dist 9.63007 7.63256 14.5604 9.07503 14.7394 4.7381 numMergedOcc 0
