0 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 12.266 5.41726 6.6263 10.7603 10.0804 5.39546 8.21247 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 12.266 5.41726 6.75943 10.7603 10.0804 12.2906 8.21247 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 15.2429 10.3209 7.69765 8.86752 9.26923 4.75197 7.84768 numMergedOcc 0
3 mol 115 unq 1 iso 0 dist 4.98864 10.9437 7.88312 16.4805 11.835 7.69765 15.4065 12.4685 4.75197 7.84768 numMergedOcc 0
4 mol 115 unq 2 iso 0 dist 7.95871 12.0354 7.88312 17.9091 11.835 7.69765 15.6022 12.4685 4.75197 7.84768 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 8.7366 4.90475 7.7059 10.6383 12.9631 6.89918 4.21327 11.9102 5.28089 8.40461 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 5.86531 9.73435 8.00618 13.1452 15.0115 8.77023 6.85263 11.7499 10.9364 8.88752 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 9.92932 6.20443 9.86662 14.5777 12.8086 9.1998 15.1417 17.0494 11.9734 8.73668 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 9.60411 6.20443 9.71307 14.5777 15.0225 9.1998 15.1417 20.0191 11.9734 8.73668 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 9.55556 6.36794 9.86662 10.6236 12.8086 9.1998 9.69206 17.0494 11.9734 8.73668 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 11.298 12.0033 9.2289 4.4 9.06133 6.67469 9.47168 numMergedOcc 0
11 mol 167 unq 1 iso 0 dist 5.59806 8.66436 9.87651 11.5835 11.6011 7.02548 4.4 9.06133 6.67469 9.76579 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 9.55777 16.4881 7.21333 15.2698 6.84862 5.56538 13.0561 8.86173 9.84386 7.99441 numMergedOcc 0
13 mol 222 unq 1 iso 0 dist 9.55777 16.4881 7.21333 16.9252 9.53117 7.48954 13.0561 8.86173 9.84386 6.71817 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 7.13727 7.06793 9.72188 5.64173 4.80834 7.04671 5.52788 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 8.59074 9.18011 5.72887 8.56975 7.06793 9.72188 4.11566 4.80834 7.04671 5.52788 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 6.2365 4.7157 5.72887 10.5721 7.06793 9.72188 5.64162 4.80834 7.04671 5.52788 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 14.1679 10.6736 6.73665 17.9273 17.0305 13.3838 9.993 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 9.30668 8.04474 8.2734 5.72473 7.8414 7.20674 10.5329 16.0338 16.264 9.63325 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 9.30668 8.04474 8.2734 12.7549 14.179 8.38121 12.3921 18.7907 11.5813 9.64781 numMergedOcc 0
