0 mol 52 unq 0 iso 0 dist 5.77748 4.98024 5.26018 14.5959 11.8848 9.66501 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 7.62062 9.99897 7.1203 15.3866 8.65709 9.66501 numMergedOcc 0
2 mol 52 unq 2 iso 0 dist 7.33436 6.01116 7.1203 14.1276 8.65709 9.66501 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.6969 12.3945 9.00692 6.98059 9.70366 8.8368 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.18318 12.3945 6.26542 6.98059 7.63357 8.8368 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 7.94124 9.77595 9.00692 5.63127 9.70366 8.8368 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 5.92298 9.77595 6.26542 5.63127 7.63357 8.8368 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.06422 12.3674 8.88255 13.2368 6.89245 7.77116 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 5.29346 7.79117 7.85527 12.1563 8.79034 6.98934 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 5.29346 7.79117 7.85527 9.69341 5.53632 7.99623 numMergedOcc 0
10 mol 140 unq 0 iso 0 dist 9.68237 10.553 7.83582 15.7733 11.3235 5.39064 numMergedOcc 0
11 mol 212 unq 0 iso 0 dist 9.52641 10.1617 9.47932 11.2133 14.3725 6.29767 numMergedOcc 0
12 mol 212 unq 1 iso 0 dist 9.52641 10.1617 9.47932 17.3075 11.0448 8.74585 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 8.1177 6.40429 4.851 13.5797 11.3699 9.20961 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 4.88851 4.9585 8.7017 7.96696 5.71442 8.67805 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 7.65486 4.9585 9.51583 7.96696 8.88857 8.67805 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 6.62992 6.07245 6.8902 9.83296 5.86656 6.14323 numMergedOcc 0
17 mol 272 unq 0 iso 0 dist 8.1095 6.52684 7.31993 13.778 11.4436 9.19033 numMergedOcc 0
18 mol 276 unq 0 iso 0 dist 9.57026 5.55136 8.54938 10.9773 5.38576 7.88706 numMergedOcc 0
