0 mol 11 unq 0 iso 0 dist 7.05626 4.37231 6.35398 10.0977 7.98326 10.9183 12.3213 9.81983 10.7048 6.76736 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 7.05626 4.37231 6.35398 6.5069 7.90478 9.99434 12.3213 9.81983 10.7048 13.5186 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 5.94245 5.88932 6.42748 9.867 6.03257 10.1154 4.21233 6.31608 4.22652 11.6414 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 5.94245 9.21064 7.48342 9.867 6.03257 4.29582 4.21233 6.31608 12.2746 11.6414 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.54052 10.0565 6.14538 11.754 9.17082 4.24786 11.8083 5.27979 7.15034 10.1434 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 7.42828 7.45926 9.30539 9.18905 8.66165 4.57085 6.21311 9.97813 4.73184 5.21888 numMergedOcc 0
6 mol 91 unq 1 iso 0 dist 5.98441 5.55005 9.30539 8.00102 8.66165 4.57085 7.17072 9.97813 4.73184 5.21888 numMergedOcc 0
7 mol 91 unq 2 iso 0 dist 5.45873 9.57561 9.30539 11.1564 8.66165 4.57085 10.0233 9.97813 4.73184 5.21888 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 9.17878 6.46081 8.8822 3.87164 6.6317 7.27193 16.4052 7.40338 15.3211 13.2601 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.41084 10.4817 8.10291 11.939 9.83945 14.7684 10.2696 4.92382 8.76709 13.8739 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 6.8891 16.1376 9.97343 12.0582 9.10042 9.74444 14.2035 9.38036 6.45283 3.89483 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 6.8891 16.1376 9.97343 13.5187 9.75059 6.91919 14.2035 9.38036 6.45283 4.1436 numMergedOcc 0
12 mol 141 unq 3 iso 0 dist 6.8891 16.1376 9.97343 10.0354 6.83404 10.1432 14.2035 9.38036 6.45283 12.6017 numMergedOcc 0
13 mol 141 unq 4 iso 0 dist 6.8891 10.4675 9.70413 12.0582 9.10042 10.3716 14.2035 9.38036 11.3136 3.89483 numMergedOcc 0
14 mol 141 unq 5 iso 0 dist 6.8891 10.4675 9.70413 13.5187 9.75059 7.87881 14.2035 9.38036 11.3136 4.1436 numMergedOcc 0
15 mol 141 unq 6 iso 0 dist 6.8891 10.4675 9.70413 10.0354 6.83404 7.27731 14.2035 9.38036 11.3136 12.6017 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 7.71806 9.45062 8.65535 12.1101 6.1886 11.6598 4.02402 8.43182 12.8006 13.0087 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 9.42877 6.94473 6.70531 11.3347 7.21349 4.54749 9.69543 6.14222 5.93821 5.7225 numMergedOcc 0
18 mol 196 unq 1 iso 0 dist 9.42877 12.8012 6.86319 11.3347 7.21349 10.645 9.69543 6.14222 12.4987 5.7225 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 9.28249 9.17618 5.50492 15.877 7.95359 7.6169 15.678 9.30179 8.49798 8.74744 numMergedOcc 0
20 mol 244 unq 1 iso 0 dist 9.28249 9.17618 5.50492 15.877 7.95359 7.6169 14.6968 6.10489 9.54706 5.98501 numMergedOcc 0
21 mol 244 unq 2 iso 0 dist 9.28249 9.17618 5.50492 15.877 7.95359 7.6169 11.0278 4.4204 4.06591 5.00596 numMergedOcc 0
22 mol 244 unq 3 iso 0 dist 9.28249 9.17618 5.50492 6.12937 6.22122 5.17744 15.678 9.30179 8.49798 13.2473 numMergedOcc 0
23 mol 244 unq 4 iso 0 dist 9.28249 9.17618 5.50492 6.12937 6.22122 5.17744 14.6968 6.10489 9.54706 10.1665 numMergedOcc 0
24 mol 244 unq 5 iso 0 dist 9.28249 9.17618 5.50492 6.12937 6.22122 5.17744 11.0278 4.4204 4.06591 5.68434 numMergedOcc 0
25 mol 249 unq 0 iso 0 dist 6.7282 8.71871 5.48118 7.64577 5.9627 9.0676 3.89698 8.76518 10.3504 11.2713 numMergedOcc 0
26 mol 249 unq 1 iso 0 dist 6.7282 7.87761 7.25858 7.64577 5.9627 6.56117 3.89698 8.76518 10.9925 11.2713 numMergedOcc 0
