0 mol 48 unq 0 iso 0 dist 8.06519 8.16033 7.12927 3.42062 7.32699 9.42099 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.54027 8.16033 5.77634 3.42062 6.45933 9.42099 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 4.22514 6.54052 5.01159 11.8083 9.63616 5.27979 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 5.25083 8.23534 7.88113 9.68559 12.955 9.32778 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 9.27407 6.70158 15.5207 3.99275 11.8564 7.48947 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 7.71664 8.19294 5.6007 5.17954 9.04366 8.00013 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 5.50402 6.41084 6.69013 10.2696 7.57472 4.92382 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 8.41494 7.77211 12.8424 8.73397 16.9879 8.2241 numMergedOcc 0
8 mol 193 unq 0 iso 0 dist 7.13192 6.77983 5.35985 5.57164 10.8116 9.9042 numMergedOcc 0
9 mol 193 unq 1 iso 0 dist 7.13192 7.06538 12.1335 5.57164 10.8116 6.21262 numMergedOcc 0
10 mol 278 unq 0 iso 0 dist 7.99979 8.04121 10.7651 4.32613 5.35362 9.9444 numMergedOcc 0
11 mol 278 unq 1 iso 0 dist 8.0742 8.91606 7.41736 3.64811 5.35362 8.1769 numMergedOcc 0
12 mol 278 unq 2 iso 0 dist 8.0742 8.91606 7.41736 6.31745 8.22364 7.1656 numMergedOcc 0
13 mol 279 unq 0 iso 0 dist 5.15432 6.35591 8.0692 7.72714 11.9085 8.25623 numMergedOcc 0
14 mol 279 unq 1 iso 0 dist 5.15432 6.35591 8.0692 6.15282 9.97251 8.77098 numMergedOcc 0
15 mol 279 unq 2 iso 0 dist 5.15432 6.35591 8.0692 3.75969 5.76793 9.78784 numMergedOcc 0
