0 mol 20 unq 0 iso 0 dist 7.67558 9.13831 6.18227 6.03967 7.50142 6.54413 13.186 6.75769 6.18007 9.84488 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 9.00943 11.3705 7.61972 9.29223 6.93243 7.09714 8.32519 4.85685 10.557 5.83263 numMergedOcc 0
2 mol 62 unq 1 iso 0 dist 9.00943 11.2658 5.80956 9.29223 6.93243 10.4736 8.32519 4.85685 10.5084 5.83263 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 8.50734 5.34062 9.16474 9.94078 5.6738 12.566 6.61697 10.3017 11.8399 8.46167 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 8.50734 5.34062 9.16474 9.94078 5.6738 12.566 9.12562 10.3632 13.2408 6.13175 numMergedOcc 0
5 mol 113 unq 2 iso 0 dist 8.50734 5.34062 9.16474 9.94078 5.6738 12.566 11.5832 9.86085 15.1634 4.34107 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 8.79685 8.05319 9.47429 3.45322 6.16995 5.70156 12.2436 5.76262 10.9908 9.28718 numMergedOcc 0
7 mol 169 unq 0 iso 0 dist 7.642 11.484 9.28392 5.00783 6.47837 8.81423 6.85177 6.5732 14.745 9.39809 numMergedOcc 0
8 mol 169 unq 1 iso 0 dist 7.642 11.484 9.28392 5.00783 6.47837 8.81423 8.88729 4.14139 13.2851 8.38775 numMergedOcc 0
9 mol 230 unq 0 iso 0 dist 6.27573 4.90606 9.50336 4.07325 6.35413 5.88997 12.2469 13.5506 12.5226 8.46558 numMergedOcc 0
10 mol 230 unq 1 iso 0 dist 6.27573 4.90606 9.50336 4.07325 6.35413 5.88997 11.2046 12.7091 14.7171 9.96417 numMergedOcc 0
11 mol 230 unq 2 iso 0 dist 6.27573 4.90606 9.50336 4.07325 6.35413 5.88997 8.32382 11.621 12.226 9.28671 numMergedOcc 0
12 mol 287 unq 0 iso 0 dist 9.1299 10.9751 8.62338 11.6193 7.64453 6.80232 19.1409 15.6386 14.5005 8.70479 numMergedOcc 0
13 mol 288 unq 0 iso 0 dist 9.1299 10.9751 8.62338 11.6193 7.64453 6.80232 19.1409 15.6386 14.5005 8.70479 numMergedOcc 0
14 mol 289 unq 0 iso 0 dist 9.1299 10.9751 8.62338 11.6193 7.64453 6.80232 19.1409 15.6386 14.5005 8.70479 numMergedOcc 0
15 mol 294 unq 0 iso 0 dist 8.79534 10.0259 9.03579 5.28871 9.52749 14.3928 7.0445 4.63586 7.58948 9.255 numMergedOcc 0
16 mol 294 unq 1 iso 0 dist 6.78706 9.83196 9.03579 16.3089 9.52749 14.3928 9.16621 4.63586 7.58948 9.255 numMergedOcc 0
