0 mol 14 unq 0 iso 0 dist 6.11408 5.80918 8.51178 8.39619 7.04966 9.64649 4.76499 6.96046 8.79533 12.1205 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 9.72716 6.27103 8.30431 6.86236 4.628 8.0979 14.5293 16.966 9.94756 17.9242 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 9.72716 6.86236 4.628 6.27103 8.30431 8.0979 13.3693 4.71793 6.85094 12.8266 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.44753 9.5091 7.09393 6.88345 3.87167 3.83043 11.0884 8.50938 8.51894 8.27592 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 8.44753 6.88345 3.87167 9.5091 7.09393 3.83043 11.0884 8.50938 8.27592 8.51894 numMergedOcc 0
5 mol 86 unq 0 iso 0 dist 9.94012 15.1412 8.39046 9.27344 8.39947 11.0575 16.0824 6.75602 8.63569 14.4684 numMergedOcc 0
6 mol 86 unq 1 iso 0 dist 5.85076 8.96878 8.39046 7.68813 8.39947 11.0575 11.1496 6.75602 8.63569 14.4684 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 5.66196 5.6579 5.31281 4.77912 8.9922 5.67339 11.8821 7.22809 8.592 14.0354 numMergedOcc 0
8 mol 184 unq 0 iso 0 dist 9.0757 16.3549 9.45847 6.55123 7.895 17.2664 18.0276 12.9481 5.13722 20.2475 numMergedOcc 0
9 mol 184 unq 1 iso 0 dist 9.39563 3.95306 9.45847 17.0877 7.895 17.2664 6.66619 12.9481 5.13722 20.2475 numMergedOcc 0
10 mol 184 unq 2 iso 0 dist 7.51045 9.14602 9.45847 13.1965 7.895 17.2664 10.3667 12.9481 5.13722 20.2475 numMergedOcc 0
11 mol 211 unq 0 iso 0 dist 5.02094 9.43858 9.8921 4.19883 8.50841 8.59334 13.4145 15.2751 7.15386 11.989 numMergedOcc 0
12 mol 211 unq 1 iso 0 dist 5.02094 9.43858 9.8921 4.19883 8.50841 8.59334 16.3392 17.5039 7.73993 14.4642 numMergedOcc 0
13 mol 211 unq 2 iso 0 dist 5.02094 9.43858 9.8921 4.19883 8.50841 8.59334 13.2505 16.4954 9.45365 10.7444 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 5.12798 7.70847 9.81136 6.52672 7.25293 9.46821 13.3947 14.9808 5.69733 14.3696 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.66083 12.5945 7.57712 8.9471 7.20255 5.88344 12.2272 6.40358 4.3362 5.51565 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.66083 8.9471 7.20255 12.5945 7.57712 5.88344 12.2272 6.40358 5.51565 4.3362 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 7.66083 8.9471 7.20255 12.5945 7.57712 5.88344 13.2475 7.36665 9.74776 10.181 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 9.49732 17.4311 8.91916 12.8835 4.55368 4.70261 23.2896 15.0643 9.2772 11.5263 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 4.09984 9.64395 8.70702 10.5268 9.43706 14.1636 8.6446 8.66375 8.78148 17.818 numMergedOcc 0
20 mol 285 unq 1 iso 0 dist 4.09984 9.64395 8.70702 6.59466 9.3482 14.0317 8.6446 8.66375 8.78148 8.33415 numMergedOcc 0
21 mol 285 unq 2 iso 0 dist 4.09984 6.59466 9.3482 9.64395 8.70702 14.0317 8.6446 8.66375 8.33415 8.78148 numMergedOcc 0
22 mol 285 unq 3 iso 0 dist 4.09984 6.59466 9.3482 10.5268 9.43706 16.6298 8.6446 8.66375 8.33415 17.818 numMergedOcc 0
