0 mol 10 unq 0 iso 0 dist 8.33546 8.30413 13.4187 8.12738 9.59744 12.1092 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.33546 8.30413 13.4187 4.06691 8.37314 12.3486 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.32779 8.95376 7.70921 5.43498 7.63824 5.02954 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 5.12277 9.00169 5.85221 5.32648 6.58179 8.45058 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 5.12277 7.66306 8.11218 5.32648 6.58179 12.4508 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.51622 7.64945 7.72978 10.3525 6.58981 12.5611 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 9.22609 7.76666 12.0171 13.469 9.56838 15.1387 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 7.52742 8.64047 14.8764 3.81285 6.56288 12.217 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 7.52742 8.64047 14.8764 6.17121 5.97559 14.7286 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 5.27541 7.46327 3.74136 13.113 8.61597 6.46217 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 5.27541 8.21739 8.69953 3.99275 5.96189 9.30843 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 5.27541 4.78377 8.48621 3.99275 5.96189 6.25522 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 6.4081 8.70685 6.85756 5.47525 9.98215 12.2066 numMergedOcc 0
13 mol 111 unq 0 iso 0 dist 5.68841 8.28541 9.30538 7.42165 6.33923 12.3768 numMergedOcc 0
14 mol 111 unq 1 iso 0 dist 5.68841 8.28541 9.30538 7.93667 9.9801 15.4321 numMergedOcc 0
15 mol 111 unq 2 iso 0 dist 5.68841 5.61533 8.169 3.83194 8.51084 4.72339 numMergedOcc 0
16 mol 111 unq 3 iso 0 dist 5.68841 5.61533 8.169 5.56913 5.53271 7.21505 numMergedOcc 0
17 mol 124 unq 0 iso 0 dist 7.24083 9.11203 5.77455 6.49874 8.06631 11.455 numMergedOcc 0
18 mol 124 unq 1 iso 0 dist 7.24083 5.49109 6.60073 6.49874 8.06631 10.9474 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.52744 8.78339 5.98491 8.73397 7.00382 11.0184 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 6.28379 5.50668 6.20465 5.74821 6.45095 9.89428 numMergedOcc 0
21 mol 233 unq 1 iso 0 dist 9.29279 6.66157 6.20465 11.8995 6.45095 9.89428 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 5.06731 6.69569 9.46764 3.76412 6.05363 10.1569 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 5.06731 6.69569 9.46764 3.76412 6.05363 10.1569 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 5.06731 6.69569 9.46764 3.76412 6.05363 10.1569 numMergedOcc 0
