0 mol 37 unq 0 iso 0 dist 8.31005 7.47638 12.6162 11.746 18.3482 5.98359 4.87451 13.1054 6.84257 8.49523 numMergedOcc 0
1 mol 37 unq 1 iso 0 dist 8.31005 7.47638 12.6162 11.746 18.3482 5.98359 12.8406 20.4468 9.21102 4.23663 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 8.88433 6.48198 6.89658 3.75745 12.3807 8.26758 5.92777 11.051 4.7588 5.33623 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 9.24874 5.37345 9.81267 7.24416 16.1985 8.28948 10.1051 18.1245 8.88401 5.07523 numMergedOcc 0
4 mol 140 unq 0 iso 0 dist 8.72216 8.6371 5.00766 4.56374 8.05043 9.74209 4.46614 7.60956 6.55217 4.8476 numMergedOcc 0
5 mol 140 unq 1 iso 0 dist 8.72216 8.6371 5.00766 4.56374 8.05043 9.74209 4.74205 9.9171 7.21686 8.53976 numMergedOcc 0
6 mol 193 unq 0 iso 0 dist 8.30095 7.13192 14.7786 6.05626 12.0647 9.16852 3.79373 11.0513 7.71716 3.53549 numMergedOcc 0
7 mol 229 unq 0 iso 0 dist 9.79447 9.69083 6.40216 5.0114 10.0705 8.86628 6.60289 6.28935 9.42877 6.1732 numMergedOcc 0
8 mol 255 unq 0 iso 0 dist 5.84157 8.17286 12.1115 4.80227 10.6136 6.61193 4.52659 7.57779 7.16286 6.41518 numMergedOcc 0
9 mol 258 unq 0 iso 0 dist 8.88518 7.96325 16.1624 9.47962 17.1495 8.34471 14.2761 21.0312 9.53832 8.44005 numMergedOcc 0
10 mol 280 unq 0 iso 0 dist 7.31523 7.11605 6.12141 11.1583 6.83927 9.047 7.87626 11.6621 6.38295 14.0927 numMergedOcc 0
11 mol 280 unq 1 iso 0 dist 7.31523 7.11605 6.12141 15.3737 14.1785 9.9227 7.87626 11.6621 6.38295 11.4101 numMergedOcc 0
12 mol 280 unq 2 iso 0 dist 7.60676 7.11605 5.846 11.1583 14.6209 9.047 7.87626 4.45141 6.38295 14.0927 numMergedOcc 0
13 mol 280 unq 3 iso 0 dist 7.60676 7.11605 5.846 15.3737 13.7994 9.9227 7.87626 4.45141 6.38295 11.4101 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 9.04355 8.72085 7.43524 13.563 14.1883 8.75275 5.05806 6.96774 9.84741 13.9343 numMergedOcc 0
15 mol 287 unq 1 iso 0 dist 8.50508 8.72085 13.312 13.563 20.8307 8.75275 5.05806 10.2812 9.84741 13.9343 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 9.04355 8.72085 7.43524 13.563 14.1883 8.75275 5.05806 6.96774 9.84741 13.9343 numMergedOcc 0
17 mol 288 unq 1 iso 0 dist 8.50508 8.72085 13.312 13.563 20.8307 8.75275 5.05806 10.2812 9.84741 13.9343 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 9.04355 8.72085 7.43524 13.563 14.1883 8.75275 5.05806 6.96774 9.84741 13.9343 numMergedOcc 0
19 mol 289 unq 1 iso 0 dist 8.50508 8.72085 13.312 13.563 20.8307 8.75275 5.05806 10.2812 9.84741 13.9343 numMergedOcc 0
