0 mol 66 unq 0 iso 0 dist 7.16147 6.32532 3.7783 7.28551 8.65033 9.6145 numMergedOcc 0
1 mol 66 unq 1 iso 0 dist 7.16147 6.32532 3.7783 3.96299 7.8807 8.32859 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.28357 8.18572 5.34337 5.4968 9.73179 9.59729 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.50681 8.37559 9.90693 5.46771 13.9391 8.16401 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.11115 8.0675 10.6733 3.94084 10.0162 8.75345 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 5.62903 5.80831 8.8974 4.03471 6.6536 6.96745 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 8.73544 9.21978 11.1895 3.85674 11.609 7.65564 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 8.93793 9.26505 11.5732 3.82475 11.8134 7.65564 numMergedOcc 0
8 mol 157 unq 0 iso 0 dist 6.97303 8.51753 7.68025 6.17631 8.9078 8.40821 numMergedOcc 0
9 mol 157 unq 1 iso 0 dist 6.97303 8.51753 7.68025 3.80096 10.2704 9.86925 numMergedOcc 0
10 mol 157 unq 2 iso 0 dist 9.46764 8.51753 5.43167 6.17631 6.07906 8.40821 numMergedOcc 0
11 mol 157 unq 3 iso 0 dist 9.46764 8.51753 5.43167 3.80096 8.72717 9.86925 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 9.83024 9.04035 15.1579 9.65426 19.2481 9.26214 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 8.37024 9.7713 7.9981 4.05534 8.43994 9.95026 numMergedOcc 0
14 mol 206 unq 1 iso 0 dist 8.37024 9.7713 7.9981 5.22561 10.7861 9.09594 numMergedOcc 0
15 mol 243 unq 0 iso 0 dist 8.82741 8.8602 13.1212 3.98086 8.89434 8.30024 numMergedOcc 0
16 mol 243 unq 1 iso 0 dist 8.82741 8.8602 13.1212 4.02386 12.6943 8.20943 numMergedOcc 0
17 mol 251 unq 0 iso 0 dist 8.08045 5.85851 4.66259 4.66779 9.65275 9.02417 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 6.51561 9.18386 5.90311 6.59125 8.67283 7.89938 numMergedOcc 0
