0 mol 44 unq 0 iso 0 dist 7.16036 9.32021 7.52117 9.5746 9.6782 5.1728 11.2104 5.87283 9.17518 13.4333 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 7.16036 9.32021 7.52117 9.5746 9.6782 5.1728 14.7353 10.6223 8.21833 13.2979 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 5.87387 11.3694 6.34525 10.6075 6.84011 8.51024 10.1667 5.31367 8.06525 8.809 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 8.59784 12.9632 8.56342 8.66162 6.52773 6.96805 17.9689 10.0197 9.87025 11.1099 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 8.59784 12.9632 8.56342 8.66162 6.52773 6.96805 17.222 10.6679 5.85818 11.8717 numMergedOcc 0
5 mol 119 unq 2 iso 0 dist 8.59784 12.9632 8.56342 6.71925 9.23858 13.3975 17.9689 10.0197 9.87025 18.7646 numMergedOcc 0
6 mol 119 unq 3 iso 0 dist 8.59784 12.9632 8.56342 6.71925 9.23858 13.3975 17.222 10.6679 5.85818 15.8603 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 8.72463 4.88215 8.41611 16.1752 7.78652 15.0801 4.86894 5.44503 6.40901 13.204 numMergedOcc 0
8 mol 143 unq 1 iso 0 dist 8.72463 4.88215 8.41611 17.1567 8.91301 15.0315 4.86894 5.44503 6.40901 13.8861 numMergedOcc 0
9 mol 143 unq 2 iso 0 dist 8.72463 8.25783 7.63338 16.1752 7.78652 11.5146 12.3708 6.01455 8.1582 6.46089 numMergedOcc 0
10 mol 143 unq 3 iso 0 dist 8.72463 8.25783 7.63338 16.1752 7.78652 11.5146 4.86894 5.44503 9.40626 13.204 numMergedOcc 0
11 mol 143 unq 4 iso 0 dist 8.72463 8.25783 7.63338 17.1567 8.91301 13.434 12.3708 6.01455 8.1582 10.1154 numMergedOcc 0
12 mol 143 unq 5 iso 0 dist 8.72463 8.25783 7.63338 17.1567 8.91301 13.434 4.86894 5.44503 9.40626 13.8861 numMergedOcc 0
13 mol 143 unq 6 iso 0 dist 8.72463 12.956 7.25673 16.1752 7.78652 6.60479 12.3708 6.01455 7.88655 6.46089 numMergedOcc 0
14 mol 143 unq 7 iso 0 dist 8.72463 12.956 7.25673 17.1567 8.91301 7.54337 12.3708 6.01455 7.88655 10.1154 numMergedOcc 0
15 mol 159 unq 0 iso 0 dist 7.78695 6.47213 7.25742 9.00075 9.17787 10.3427 10.7746 4.57561 7.13269 10.4588 numMergedOcc 0
16 mol 159 unq 1 iso 0 dist 7.78695 6.47213 7.25742 11.6088 8.4858 7.97232 10.7746 4.57561 7.13269 5.9032 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.25528 6.09526 6.51749 15.4597 8.90963 13.0913 11.1264 5.4601 7.345 13.6646 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 9.25528 6.09526 6.51749 15.4597 8.90963 13.0913 15.1056 10.0524 9.52987 15.9219 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 9.05666 6.93447 7.24199 5.76622 8.77999 3.86183 8.15486 5.71262 8.53433 7.33225 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 5.80867 11.1573 8.10985 6.42799 6.34616 9.86517 15.8606 12.2117 8.15936 16.7877 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 5.80867 11.1573 8.10985 6.42799 6.34616 9.86517 12.6731 10.8191 8.16598 15.2254 numMergedOcc 0
22 mol 198 unq 2 iso 0 dist 9.4363 4.75457 8.10985 10.4394 6.34616 9.86517 10.0328 12.2117 8.15936 16.7877 numMergedOcc 0
23 mol 198 unq 3 iso 0 dist 9.4363 4.75457 8.10985 10.4394 6.34616 9.86517 7.48163 10.8191 8.16598 15.2254 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.2527 9.87539 6.66971 10.0472 7.57812 4.77308 11.5738 13.0842 9.42618 6.87131 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 7.2527 9.87539 6.66971 10.0651 8.69104 10.2777 11.5738 13.0842 9.42618 9.69818 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 7.13194 9.87539 7.32982 10.0472 9.24557 4.77308 11.5738 8.85181 9.42618 6.87131 numMergedOcc 0
27 mol 238 unq 3 iso 0 dist 9.29203 10.4401 6.66971 13.6806 7.57812 4.77308 16.0336 13.0842 9.42618 6.87131 numMergedOcc 0
28 mol 238 unq 4 iso 0 dist 9.29203 10.4401 6.66971 16.2617 8.69104 10.2777 16.0336 13.0842 9.42618 9.69818 numMergedOcc 0
29 mol 238 unq 5 iso 0 dist 7.80166 10.4401 7.32982 13.6806 9.24557 4.77308 16.0336 8.85181 9.42618 6.87131 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.47382 15.3317 8.55558 10.451 7.08526 6.31909 15.0738 5.79468 6.39918 8.71497 numMergedOcc 0
