0 mol 55 unq 0 iso 0 dist 7.6314 6.48194 7.87739 7.62977 5.55161 5.62629 11.7434 12.4931 6.63489 7.58788 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.50028 12.1332 6.85356 8.91858 4.63063 7.02351 12.7633 12.702 16.1129 9.27355 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.50028 14.2641 7.32265 11.6899 8.30433 7.53504 12.7633 12.702 12.6081 5.39171 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 8.50028 14.2641 7.32265 8.91858 4.63063 8.66342 12.7633 12.702 12.6081 9.27355 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 8.50028 14.2641 7.32265 7.5442 4.68175 7.21285 12.7633 12.702 12.6081 8.60363 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 8.50028 14.2641 7.32265 7.5442 4.68175 7.21285 5.19187 7.45777 14.1204 9.27331 numMergedOcc 0
6 mol 99 unq 0 iso 0 dist 5.57391 5.77364 4.82346 6.24473 4.74328 8.23566 4.73115 8.68674 8.61334 6.81741 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 9.67331 3.94348 6.00896 10.3975 6.01484 7.94564 4.92832 9.88178 5.57607 7.85526 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 9.67331 3.94348 6.00896 9.91507 10.6104 9.21999 4.92832 9.88178 5.57607 5.33543 numMergedOcc 0
9 mol 203 unq 0 iso 0 dist 9.58178 6.98545 7.72215 14.2624 9.33982 8.8589 10.3525 11.2429 4.51654 7.9591 numMergedOcc 0
10 mol 203 unq 1 iso 0 dist 9.52542 6.98545 5.46529 14.2624 4.9404 8.8589 10.3525 6.84619 4.51654 7.9591 numMergedOcc 0
11 mol 203 unq 2 iso 0 dist 9.80432 10.347 5.46529 14.3655 4.9404 8.8589 12.8357 6.84619 4.51654 7.9591 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.96503 7.51653 6.02053 15.4079 8.82544 8.21112 20.129 14.9475 13.8587 9.89311 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.96503 10.6644 7.41663 15.4079 8.82544 7.06533 20.129 14.9475 9.6353 9.89311 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 9.70779 15.2237 9.984 15.6024 8.70221 9.74776 11.12 8.6368 7.36665 7.20255 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 7.64898 5.27976 8.24741 14.0381 12.3913 9.05082 20.1404 16.5565 15.6116 7.20862 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 6.55222 14.1404 7.80073 13.5145 8.20191 8.78008 13.0572 8.86185 10.1043 6.00654 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 7.35191 8.05625 6.40125 13.9029 10.3278 9.42812 13.9913 11.8319 13.1 6.23539 numMergedOcc 0
