0 mol 12 unq 0 iso 0 dist 7.44542 10.4006 7.99569 13.3327 6.1378 9.8142 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.01516 4.91535 6.64915 10.4055 8.65653 5.79139 numMergedOcc 0
2 mol 101 unq 0 iso 0 dist 7.22737 5.08458 7.73086 6.67863 4.4529 9.44645 numMergedOcc 0
3 mol 116 unq 0 iso 0 dist 7.67429 5.57288 7.92221 8.50194 8.53743 8.58308 numMergedOcc 0
4 mol 146 unq 0 iso 0 dist 9.48667 6.27901 8.68292 11.2499 5.97454 6.73137 numMergedOcc 0
5 mol 147 unq 0 iso 0 dist 9.21476 7.38323 9.77522 8.76449 9.03848 9.59327 numMergedOcc 0
6 mol 147 unq 1 iso 0 dist 9.21476 7.38323 9.77522 8.36182 5.58015 8.51399 numMergedOcc 0
7 mol 151 unq 0 iso 0 dist 9.657 11.8762 9.15141 19.4747 13.6484 8.1948 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 8.37231 7.15755 9.0087 9.067 5.29862 5.67088 numMergedOcc 0
9 mol 188 unq 0 iso 0 dist 8.94864 5.23385 6.20426 13.3673 8.6599 8.4784 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 7.55333 4.9739 6.23057 10.0133 4.51847 6.81516 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 7.55333 4.9739 6.23057 13.8034 13.1148 9.17562 numMergedOcc 0
12 mol 205 unq 2 iso 0 dist 7.84215 4.8012 5.63477 8.87165 3.50159 5.59832 numMergedOcc 0
13 mol 205 unq 3 iso 0 dist 7.97183 3.99238 5.63477 8.86316 3.50159 5.59832 numMergedOcc 0
14 mol 217 unq 0 iso 0 dist 8.80103 10.7793 7.63191 8.82691 9.311 8.4493 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 8.96917 4.85571 9.30143 8.49869 5.1104 8.73192 numMergedOcc 0
16 mol 244 unq 0 iso 0 dist 9.53211 9.01951 9.97458 12.41 4.80974 9.30179 numMergedOcc 0
17 mol 244 unq 1 iso 0 dist 9.53211 9.01951 9.97458 12.0503 13.59 6.10489 numMergedOcc 0
18 mol 244 unq 2 iso 0 dist 9.53211 9.01951 9.97458 13.2873 12.146 4.4204 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 9.33791 12.6676 9.54381 14.8303 6.09382 9.32971 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 8.55037 7.33654 7.14502 9.42655 12.8415 9.01437 numMergedOcc 0
