0 mol 14 unq 0 iso 0 dist 9.28341 9.08594 6.89209 15.5461 9.85095 8.05352 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 9.28341 9.08594 6.89209 14.5321 6.83016 8.5032 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.68517 7.67331 8.59049 13.6218 9.30655 9.15471 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 8.87925 5.2034 9.00543 11.4111 9.81889 8.0346 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 5.84326 6.3873 9.77018 9.74413 10.6193 4.80247 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 5.50504 12.0885 9.70415 19.6018 16.1373 7.77128 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.83528 15.5804 8.05602 19.7078 12.5137 5.26536 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 7.54969 10.9744 8.05602 15.695 12.5137 5.26536 numMergedOcc 0
8 mol 124 unq 0 iso 0 dist 6.71293 5.87352 6.35314 6.31955 5.1738 8.03603 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 6.44195 9.05948 8.34737 11.0408 8.32419 4.62366 numMergedOcc 0
10 mol 172 unq 0 iso 0 dist 9.94649 6.78233 7.34586 12.4534 12.8236 9.21942 numMergedOcc 0
11 mol 172 unq 1 iso 0 dist 9.94649 6.78233 7.34586 12.8066 5.79462 7.44084 numMergedOcc 0
12 mol 172 unq 2 iso 0 dist 9.94649 6.78233 7.34586 6.16303 8.10512 7.77643 numMergedOcc 0
13 mol 172 unq 3 iso 0 dist 9.94649 8.65462 5.5139 12.8066 5.79462 5.28889 numMergedOcc 0
14 mol 172 unq 4 iso 0 dist 9.94649 8.65462 5.5139 6.16303 8.10512 4.90175 numMergedOcc 0
15 mol 209 unq 0 iso 0 dist 5.92907 11.0219 6.14896 13.2129 7.34962 6.74526 numMergedOcc 0
16 mol 209 unq 1 iso 0 dist 5.92907 11.0219 6.14896 12.797 7.61997 8.12326 numMergedOcc 0
17 mol 209 unq 2 iso 0 dist 5.92907 13.6092 9.12289 13.2129 7.34962 8.68691 numMergedOcc 0
18 mol 209 unq 3 iso 0 dist 5.92907 13.6092 9.12289 12.797 7.61997 7.37014 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 7.88846 7.13239 8.5834 13.0748 9.69122 7.99609 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 8.14754 11.3928 7.75485 11.2091 5.95421 8.18749 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 6.32302 5.75801 8.8557 11.5538 11.8327 6.86281 numMergedOcc 0
22 mol 229 unq 1 iso 0 dist 6.88694 5.75801 5.00457 11.5538 6.36273 6.86281 numMergedOcc 0
23 mol 229 unq 2 iso 0 dist 8.53615 11.8915 8.8557 16.6909 11.8327 6.86281 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 9.2067 13.5198 8.21585 15.0241 5.90131 8.73425 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 9.2067 13.5198 8.21585 12.7133 4.51422 9.65711 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.38793 10.4217 8.82899 4.66834 8.31543 7.25282 numMergedOcc 0
