0 mol 59 unq 0 iso 0 dist 9.41952 5.58384 6.55138 10.4376 7.80026 11.5247 3.60121 10.9901 5.70814 12.5854 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.34804 6.23298 10.2575 3.77705 6.44825 9.06101 5.32316 12.4225 9.85405 7.64337 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.09675 6.70925 7.78899 10.2047 7.69222 10.0791 11.1443 13.7185 9.87177 8.88868 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.09675 6.70925 7.78899 10.2047 7.69222 10.0791 5.04503 9.02753 8.95756 14.0199 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.09675 6.70925 7.78899 10.8441 5.82056 9.37392 11.1443 13.7185 9.87177 10.8798 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.09675 6.70925 7.78899 10.8441 5.82056 9.37392 5.04503 9.02753 8.95756 13.7625 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 8.09675 6.70925 7.78899 15.2203 9.09115 11.6626 11.1443 13.7185 9.87177 13.7267 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 8.09675 6.70925 7.78899 15.2203 9.09115 11.6626 5.04503 9.02753 8.95756 17.5374 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 9.02753 8.95756 7.78899 14.0199 7.69222 10.0791 15.9639 13.7185 9.87177 8.88868 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 9.02753 8.95756 7.78899 14.0199 7.69222 10.0791 5.04503 8.09675 6.70925 10.2047 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 9.02753 8.95756 7.78899 13.7625 5.82056 9.37392 15.9639 13.7185 9.87177 10.8798 numMergedOcc 0
11 mol 73 unq 9 iso 0 dist 9.02753 8.95756 7.78899 13.7625 5.82056 9.37392 5.04503 8.09675 6.70925 10.8441 numMergedOcc 0
12 mol 73 unq 10 iso 0 dist 9.02753 8.95756 7.78899 17.5374 9.09115 11.6626 15.9639 13.7185 9.87177 13.7267 numMergedOcc 0
13 mol 73 unq 11 iso 0 dist 9.02753 8.95756 7.78899 17.5374 9.09115 11.6626 5.04503 8.09675 6.70925 15.2203 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 7.17051 9.63488 13.6469 3.75291 5.9959 13.276 11.1037 18.0226 9.31907 14.273 numMergedOcc 0
15 mol 139 unq 0 iso 0 dist 5.77343 8.27507 6.5333 4.37138 7.20542 9.07404 7.6075 10.943 9.99665 11.247 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 8.40718 5.67196 11.2342 12.5259 5.81438 16.4188 3.78668 11.1756 7.19213 14.3028 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 8.299 7.87072 9.69939 3.7056 5.61134 5.60922 9.52032 9.5717 4.75866 6.77003 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.47179 8.34389 10.9407 9.23896 6.06665 15.8219 3.73926 10.8483 8.25083 12.5058 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.47179 8.34389 10.9407 9.23896 6.06665 15.8219 3.73926 10.8483 8.25083 12.5058 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.47179 8.34389 10.9407 9.23896 6.06665 15.8219 3.73926 10.8483 8.25083 12.5058 numMergedOcc 0
