0 mol 5 unq 0 iso 0 dist 8.61584 7.44679 8.72524 13.4042 6.98121 8.87945 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.43134 12.2207 9.77719 12.1071 4.3475 9.2146 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 9.00943 7.751 5.6359 8.32519 4.85685 9.19512 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 8.09741 9.91837 7.15918 11.2729 4.3421 7.62463 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 9.58437 4.57302 8.76052 11.9586 4.0435 9.54492 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 9.99482 7.98077 6.53198 10.4795 5.23075 4.30875 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 9.99482 7.98077 6.53198 8.78269 5.43595 8.65807 numMergedOcc 0
7 mol 142 unq 0 iso 0 dist 9.02319 5.01365 9.64785 8.40522 10.5548 5.42679 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 6.59061 4.6728 9.19254 8.7019 5.67773 8.91326 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 7.642 5.68862 5.87263 6.85177 6.5732 7.65903 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 7.642 5.68862 5.87263 8.88729 4.14139 5.97653 numMergedOcc 0
11 mol 169 unq 2 iso 0 dist 7.642 5.68862 5.87263 11.5631 7.73206 7.75523 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 8.32373 10.4563 9.90751 8.15587 3.31938 9.36334 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 7.26267 5.30128 7.27888 8.81424 6.04835 8.74463 numMergedOcc 0
14 mol 243 unq 0 iso 0 dist 6.30075 5.76716 7.42359 11.4332 6.56644 9.53137 numMergedOcc 0
15 mol 243 unq 1 iso 0 dist 9.7462 9.67191 7.42359 15.8367 6.56644 9.53137 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 7.5129 15.3558 7.97307 15.0955 8.90225 8.51564 numMergedOcc 0
17 mol 260 unq 1 iso 0 dist 7.5129 9.31424 8.52702 5.33881 4.38276 9.73217 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 9.1299 4.38471 7.37164 8.27196 7.52677 6.22311 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 9.1299 4.38471 7.37164 8.27196 7.52677 6.22311 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 9.1299 4.38471 7.37164 8.27196 7.52677 6.22311 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 6.59906 13.5359 8.51266 12.012 5.92057 9.56933 numMergedOcc 0
