0 mol 26 unq 0 iso 0 dist 8.90473 7.65918 9.64848 6.09666 7.36856 12.0617 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 9.72346 9.86609 5.33298 8.95682 12.8435 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.72872 6.6367 6.91496 9.96083 7.07339 13.1774 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 6.72872 6.6367 6.91496 7.03665 7.23317 11.0484 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.27156 8.32519 5.9487 5.40878 4.74544 8.21895 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 9.56181 8.85601 7.05257 5.40109 9.97159 9.68314 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 6.92837 5.38363 10.8149 6.56303 9.97775 10.9816 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 9.43143 9.85325 4.7874 11.9655 9.27838 12.1747 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.96446 4.96173 11.3522 15.5614 8.18107 18.22 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.96446 4.96173 11.3522 8.51558 5.9465 9.82998 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 6.70686 4.96173 10.0591 15.5614 9.8859 18.22 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 6.70686 4.96173 10.0591 8.51558 6.97962 9.82998 numMergedOcc 0
12 mol 92 unq 4 iso 0 dist 8.3558 7.06722 9.85978 10.2731 6.95572 14.8897 numMergedOcc 0
13 mol 92 unq 5 iso 0 dist 8.3558 7.06722 9.85978 4.66752 7.38677 11.07 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.43116 9.82655 12.6623 5.19545 6.92026 9.24302 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 6.23645 9.82655 6.34182 5.19545 5.88249 9.24302 numMergedOcc 0
16 mol 124 unq 0 iso 0 dist 6.71293 6.67979 9.79481 5.76663 6.96281 12.2019 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.11505 4.72209 7.35363 5.68053 4.8668 7.75318 numMergedOcc 0
18 mol 231 unq 0 iso 0 dist 6.02527 9.59251 8.58535 6.46271 7.79066 14.3516 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 5.60236 5.49475 4.67058 5.86896 6.36341 7.26232 numMergedOcc 0
20 mol 235 unq 1 iso 0 dist 9.03917 7.8548 4.67058 4.88651 6.36341 7.26232 numMergedOcc 0
21 mol 235 unq 2 iso 0 dist 6.56775 7.8548 10.28 4.88651 6.21292 7.26232 numMergedOcc 0
22 mol 235 unq 3 iso 0 dist 6.56775 7.8548 10.28 6.99274 6.95126 13.8663 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 8.82778 9.0495 4.61469 15.4125 8.84636 11.637 numMergedOcc 0
24 mol 241 unq 0 iso 0 dist 6.90245 7.65636 4.07839 5.69979 7.89524 8.73192 numMergedOcc 0
