0 mol 48 unq 0 iso 0 dist 9.14072 9.90363 5.06188 5.41774 4.55422 7.78899 14.9479 6.4561 8.10222 10.6357 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 8.92491 14.685 7.48127 13.408 6.1999 6.97936 16.1417 8.58474 5.91098 3.35924 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 7.41861 4.00834 7.48127 6.63973 6.1999 6.97936 6.46582 8.58474 5.91098 3.35924 numMergedOcc 0
3 mol 129 unq 0 iso 0 dist 6.65878 5.0466 7.6453 11.4776 9.82512 9.31543 7.84813 6.61102 4.4077 9.74071 numMergedOcc 0
4 mol 129 unq 1 iso 0 dist 6.65878 5.0466 7.6453 11.4776 9.82512 9.31543 12.1544 9.0678 8.4874 6.92699 numMergedOcc 0
5 mol 129 unq 2 iso 0 dist 6.65878 5.0466 7.6453 8.09774 6.31483 8.85652 7.84813 6.61102 4.4077 9.87781 numMergedOcc 0
6 mol 129 unq 3 iso 0 dist 6.65878 5.0466 7.6453 8.09774 6.31483 8.85652 12.1544 9.0678 8.4874 9.93375 numMergedOcc 0
7 mol 170 unq 0 iso 0 dist 9.05865 9.56212 8.10386 12.5742 5.03109 8.82169 13.317 6.72402 6.7638 3.58196 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 5.21088 4.65303 7.36571 7.93715 6.62595 5.77035 5.05414 3.9335 5.03588 3.41605 numMergedOcc 0
9 mol 192 unq 1 iso 0 dist 8.25609 4.65303 9.17137 7.93715 12.1003 5.77035 5.05414 10.6087 5.03588 3.41605 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 9.04342 4.03375 5.61326 10.3127 4.3166 7.75518 12.0608 8.51428 9.16422 12.8209 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 8.47833 11.2438 6.43519 12.239 10.4922 5.63283 8.93485 6.82382 8.83628 8.93955 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 5.47586 7.47443 6.43519 8.69512 10.4922 5.63283 5.66636 6.82382 8.83628 8.93955 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 8.17026 6.30651 5.53369 15.1089 8.86983 9.81589 15.5269 9.41237 9.48672 5.80505 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 8.43002 6.30651 8.57274 15.1089 15.1125 9.81589 15.5269 13.3588 9.48672 5.80505 numMergedOcc 0
15 mol 285 unq 0 iso 0 dist 7.38536 6.37482 6.32984 10.6626 5.76392 5.49829 5.28731 3.57803 7.08681 8.34667 numMergedOcc 0
16 mol 285 unq 1 iso 0 dist 7.38536 6.37482 6.32984 10.6626 5.76392 5.49829 10.1649 11.1099 4.95596 8.31211 numMergedOcc 0
17 mol 285 unq 2 iso 0 dist 7.38536 6.37482 6.32984 10.6626 5.76392 5.49829 11.3128 11.5761 6.3508 8.08247 numMergedOcc 0
18 mol 285 unq 3 iso 0 dist 7.38536 6.37482 6.32984 10.6626 5.76392 5.49829 14.2549 11.5053 8.3005 7.23311 numMergedOcc 0
19 mol 285 unq 4 iso 0 dist 7.38536 6.37482 6.32984 5.09181 4.4744 6.24134 5.28731 3.57803 7.08681 4.98469 numMergedOcc 0
20 mol 285 unq 5 iso 0 dist 7.38536 6.37482 6.32984 5.09181 4.4744 6.24134 10.1649 11.1099 4.95596 10.5542 numMergedOcc 0
21 mol 285 unq 6 iso 0 dist 7.38536 6.37482 6.32984 5.09181 4.4744 6.24134 11.3128 11.5761 6.3508 12.5361 numMergedOcc 0
22 mol 285 unq 7 iso 0 dist 7.38536 6.37482 6.32984 5.09181 4.4744 6.24134 14.2549 11.5053 8.3005 11.9464 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.3388 5.66584 6.96774 9.27722 3.85958 7.19568 6.16127 5.03775 9.31611 8.54063 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 6.96248 5.66584 7.14859 9.27722 5.93557 7.19568 6.16127 8.95194 9.31611 8.54063 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 7.3388 5.66584 6.96774 9.27722 3.85958 7.19568 6.16127 5.03775 9.31611 8.54063 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 6.96248 5.66584 7.14859 9.27722 5.93557 7.19568 6.16127 8.95194 9.31611 8.54063 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.3388 5.66584 6.96774 9.27722 3.85958 7.19568 6.16127 5.03775 9.31611 8.54063 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 6.96248 5.66584 7.14859 9.27722 5.93557 7.19568 6.16127 8.95194 9.31611 8.54063 numMergedOcc 0
