0 mol 85 unq 0 iso 0 dist 7.52742 6.27877 4.75717 8.64047 14.8764 11.155 numMergedOcc 0
1 mol 104 unq 0 iso 0 dist 9.71834 9.0159 15.4887 6.07166 11.8718 6.30505 numMergedOcc 0
2 mol 104 unq 1 iso 0 dist 9.71834 5.46461 7.70689 6.07166 11.8718 7.13889 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.45085 7.39303 10.4606 6.20301 9.50627 12.5938 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 5.68841 9.01608 5.67604 8.28541 9.30538 10.9398 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 7.24083 8.40121 11.2378 9.11203 5.77455 8.19871 numMergedOcc 0
6 mol 124 unq 1 iso 0 dist 7.24083 8.40121 11.2378 5.49109 6.60073 5.7111 numMergedOcc 0
7 mol 124 unq 2 iso 0 dist 7.24083 9.09998 9.0109 9.11203 5.77455 8.31799 numMergedOcc 0
8 mol 124 unq 3 iso 0 dist 7.24083 9.09998 9.0109 5.49109 6.60073 3.81967 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 9.51356 9.6562 15.1602 7.48868 5.61285 12.9222 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 9.06541 6.97502 8.75176 7.44979 6.7132 3.97757 numMergedOcc 0
11 mol 233 unq 0 iso 0 dist 6.28379 5.79204 5.20211 5.50668 6.20465 5.96792 numMergedOcc 0
12 mol 233 unq 1 iso 0 dist 8.91643 5.79204 7.96328 5.50668 5.90533 5.96792 numMergedOcc 0
13 mol 247 unq 0 iso 0 dist 6.52457 6.23164 10.2114 8.18935 9.46245 11.996 numMergedOcc 0
14 mol 280 unq 0 iso 0 dist 9.69573 7.31523 14.6308 5.46263 13.2003 6.43281 numMergedOcc 0
15 mol 280 unq 1 iso 0 dist 9.69573 7.60676 16.5434 5.46263 13.2003 6.06849 numMergedOcc 0
16 mol 280 unq 2 iso 0 dist 6.42515 7.61357 13.3704 9.27455 13.2003 10.8495 numMergedOcc 0
17 mol 280 unq 3 iso 0 dist 6.42515 8.67836 14.6308 9.27455 13.2003 6.43281 numMergedOcc 0
18 mol 280 unq 4 iso 0 dist 9.8581 7.61357 14.1092 9.27455 18.4209 10.8495 numMergedOcc 0
19 mol 280 unq 5 iso 0 dist 9.8581 8.67836 18.3519 9.27455 18.4209 6.43281 numMergedOcc 0
