0 mol 0 unq 0 iso 0 dist 6.94181 5.47921 7.15528 9.83355 9.19662 6.26831 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.60571 11.3111 9.04767 17.7985 10.6873 9.58855 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 10.3524 6.70071 6.56335 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 13.7923 5.97304 6.60423 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 9.22151 4.96681 7.57578 9.75994 9.36158 6.90155 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 6.22122 4.96681 7.17969 9.75994 10.1525 6.90155 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 7.51406 6.4487 8.34347 11.4622 13.2876 8.44506 numMergedOcc 0
7 mol 52 unq 0 iso 0 dist 5.26018 10.3287 7.34143 11.7647 8.9759 9.9052 numMergedOcc 0
8 mol 52 unq 1 iso 0 dist 7.1203 6.03647 7.34143 11.5664 8.9759 9.9052 numMergedOcc 0
9 mol 52 unq 2 iso 0 dist 7.70026 13.9113 7.34143 19.9253 12.277 9.66501 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 16.145 10.121 7.33422 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 8.96916 5.92158 6.45675 13.7941 11.8512 9.00544 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 8.96916 5.92158 6.45675 12.3707 9.52882 7.12017 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 5.70279 5.92158 7.47343 13.7941 14.9392 9.00544 numMergedOcc 0
14 mol 100 unq 3 iso 0 dist 5.70279 5.92158 7.47343 12.3707 12.6602 7.12017 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 8.97043 5.19652 6.11741 9.73461 6.08806 5.74857 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 10.4602 4.91132 8.56342 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 8.88255 10.5726 8.73993 11.794 6.08167 6.37542 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 8.62648 4.6251 8.73993 7.20629 3.78311 7.77116 numMergedOcc 0
19 mol 126 unq 0 iso 0 dist 6.24392 5.50061 6.06638 9.31118 5.5703 9.46588 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 6.23966 6.65856 5.83384 12.3218 6.67948 8.03372 numMergedOcc 0
21 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 13.971 12.6057 9.17106 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 11.4129 13.8722 6.51749 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 5.16813 8.61343 7.54065 13.0447 8.90184 7.20574 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 5.16813 11.0854 8.87694 13.0447 8.90184 6.85302 numMergedOcc 0
25 mol 186 unq 2 iso 0 dist 5.16813 11.0854 8.87694 17.4935 12.8303 9.98215 numMergedOcc 0
26 mol 209 unq 0 iso 0 dist 6.14896 9.80484 7.56373 9.93982 4.90038 8.41195 numMergedOcc 0
27 mol 209 unq 1 iso 0 dist 9.12289 11.2544 7.56373 10.7597 4.90038 8.41195 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 8.7419 5.01062 6.00706 12.6432 6.03524 8.48341 numMergedOcc 0
29 mol 222 unq 1 iso 0 dist 8.5834 5.01062 7.54212 12.6432 7.60395 8.48341 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 13.5057 10.5813 8.03442 numMergedOcc 0
31 mol 227 unq 1 iso 0 dist 7.71761 5.841 7.55216 11.0495 9.69537 8.03442 numMergedOcc 0
32 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 11.5087 11.6847 8.92743 numMergedOcc 0
33 mol 229 unq 1 iso 0 dist 5.00457 5.65373 7.03423 11.5087 9.62106 8.92743 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 4.87108 7.45873 6.22714 11.1268 10.216 5.64181 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 7.64276 7.45873 7.31233 11.1268 7.83352 5.64181 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 6.54455 5.17954 6.22714 10.4767 10.216 5.64181 numMergedOcc 0
37 mol 252 unq 0 iso 0 dist 7.93609 7.59919 8.1148 11.6409 9.32326 6.11473 numMergedOcc 0
38 mol 252 unq 1 iso 0 dist 7.93609 7.59919 8.1148 6.97105 5.89666 8.47784 numMergedOcc 0
39 mol 252 unq 2 iso 0 dist 7.93609 7.59919 8.1148 13.8364 11.056 6.53679 numMergedOcc 0
40 mol 252 unq 3 iso 0 dist 7.93609 9.76823 8.33025 13.8364 11.056 7.50201 numMergedOcc 0
41 mol 258 unq 0 iso 0 dist 8.44862 10.4505 6.97229 13.7957 11.6066 8.15467 numMergedOcc 0
42 mol 258 unq 1 iso 0 dist 8.9706 5.70285 6.60405 11.064 7.42673 6.70815 numMergedOcc 0
43 mol 258 unq 2 iso 0 dist 8.9706 6.50871 6.42289 11.064 7.42673 7.99477 numMergedOcc 0
44 mol 258 unq 3 iso 0 dist 8.9706 6.50871 6.42289 13.4756 6.44209 7.86627 numMergedOcc 0
45 mol 258 unq 4 iso 0 dist 8.21585 5.13233 6.42289 12.9634 5.27959 9.53063 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 8.57619 5.43184 5.30224 8.30744 7.31951 8.59697 numMergedOcc 0
47 mol 261 unq 0 iso 0 dist 6.82526 10.9571 9.14619 10.7186 6.04016 5.26434 numMergedOcc 0
48 mol 261 unq 1 iso 0 dist 6.82526 10.3274 8.45658 10.7186 6.04016 8.60026 numMergedOcc 0
49 mol 272 unq 0 iso 0 dist 7.31993 7.33684 9.97651 4.80092 4.86504 9.64269 numMergedOcc 0
50 mol 272 unq 1 iso 0 dist 7.31993 10.4451 8.46116 4.80092 4.86504 8.46061 numMergedOcc 0
