0 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 10.3524 6.70071 6.56335 7.89215 9.80614 5.5251 7.2668 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 13.7923 5.97304 6.60423 18.0972 10.5273 7.05502 7.83786 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.22151 4.96681 7.57578 9.75994 9.36158 6.90155 11.2749 13.7311 10.6808 5.81959 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 6.22122 4.96681 7.17969 9.75994 10.1525 6.90155 11.2749 12.9968 10.6808 5.81959 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 10.4602 4.91132 8.56342 10.6442 10.3704 4.85907 7.99857 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 11.4129 13.8722 6.51749 13.526 15.0228 10.1912 7.20392 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 5.16813 8.61343 7.54065 13.0447 8.90184 7.20574 11.0854 8.87694 5.74635 6.85302 numMergedOcc 0
7 mol 186 unq 1 iso 0 dist 5.16813 11.0854 8.87694 13.0447 8.90184 6.85302 8.61343 7.54065 5.74635 7.20574 numMergedOcc 0
8 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 11.5087 11.6847 8.92743 10.8117 14.4239 6.94172 8.08082 numMergedOcc 0
9 mol 229 unq 1 iso 0 dist 8.8557 5.65373 8.22528 11.5087 11.6847 8.92743 11.9921 11.7165 7.0298 5.77318 numMergedOcc 0
10 mol 229 unq 2 iso 0 dist 8.8557 5.65373 8.22528 11.5087 11.6847 8.92743 18.994 19.5385 15.7694 8.19603 numMergedOcc 0
11 mol 229 unq 3 iso 0 dist 5.00457 5.65373 7.03423 11.5087 9.62106 8.92743 10.8117 12.3823 6.94172 8.08082 numMergedOcc 0
12 mol 229 unq 4 iso 0 dist 5.00457 5.65373 7.03423 11.5087 9.62106 8.92743 11.9921 11.4362 7.0298 5.77318 numMergedOcc 0
13 mol 229 unq 5 iso 0 dist 5.00457 5.65373 7.03423 11.5087 9.62106 8.92743 18.994 17.78 15.7694 8.19603 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 4.87108 7.45873 6.22714 11.1268 10.216 5.64181 14.1094 12.6642 6.85126 7.61393 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 7.64276 7.45873 7.31233 11.1268 7.83352 5.64181 14.1094 13.1583 6.85126 7.61393 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 6.54455 5.17954 6.22714 10.4767 10.216 5.64181 10.061 12.6642 6.85126 7.61393 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 7.93609 7.59919 8.1148 6.97105 5.89666 8.47784 10.251 14.2744 13.2361 8.66469 numMergedOcc 0
18 mol 252 unq 1 iso 0 dist 7.93609 7.59919 8.1148 13.8364 11.056 6.53679 9.76823 8.33025 6.0987 7.50201 numMergedOcc 0
19 mol 252 unq 2 iso 0 dist 7.93609 9.76823 8.33025 13.8364 11.056 7.50201 7.59919 8.1148 6.0987 6.53679 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.44862 10.4505 6.97229 13.7957 11.6066 8.15467 14.292 10.9661 4.26007 9.1925 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 8.9706 5.70285 6.60405 11.064 7.42673 6.70815 6.50871 6.42289 7.26417 7.99477 numMergedOcc 0
22 mol 258 unq 2 iso 0 dist 8.9706 6.50871 6.42289 11.064 7.42673 7.99477 5.70285 6.60405 7.26417 6.70815 numMergedOcc 0
23 mol 258 unq 3 iso 0 dist 8.9706 6.50871 6.42289 13.4756 6.44209 7.86627 11.4042 10.1675 5.30627 7.93574 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 8.57619 5.43184 5.30224 8.30744 7.31951 8.59697 11.2159 11.858 9.98105 8.55558 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 6.82526 10.9571 9.14619 10.7186 6.04016 5.26434 10.3274 8.45658 7.00201 8.60026 numMergedOcc 0
26 mol 261 unq 1 iso 0 dist 6.82526 10.3274 8.45658 10.7186 6.04016 8.60026 10.9571 9.14619 7.00201 5.26434 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 7.31993 7.33684 9.97651 4.80092 4.86504 9.64269 6.40917 10.1698 6.6954 6.88809 numMergedOcc 0
28 mol 272 unq 1 iso 0 dist 7.31993 7.33684 9.97651 4.80092 4.86504 9.64269 10.4451 8.46116 8.12676 8.46061 numMergedOcc 0
29 mol 272 unq 2 iso 0 dist 7.31993 10.4451 8.46116 4.80092 4.86504 8.46061 7.33684 9.97651 8.12676 9.64269 numMergedOcc 0
30 mol 272 unq 3 iso 0 dist 7.31993 10.4451 8.46116 4.80092 4.86504 8.46061 6.40917 10.1698 7.34222 6.88809 numMergedOcc 0
