0 mol 34 unq 0 iso 0 dist 8.50453 8.95822 6.57908 13.9319 8.90835 6.0882 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 6.74716 7.28328 6.57908 10.1375 8.90835 6.0882 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 4.89196 6.7153 8.91572 5.40878 6.04903 9.49599 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 8.06918 12.7403 8.82184 13.012 9.48582 8.23766 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 8.56968 15.6138 8.82184 13.7078 9.48582 8.23766 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 7.70428 11.9324 8.82184 5.98585 9.48582 8.23766 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 8.94447 11.7007 8.55666 15.0577 7.33541 14.8432 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 8.94447 9.26549 8.45284 15.0577 7.33541 14.8242 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 8.94447 12.6498 7.77845 15.0577 7.33541 4.81689 numMergedOcc 0
9 mol 113 unq 3 iso 0 dist 8.94447 18.0659 9.43828 15.0577 7.33541 9.30445 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 5.98435 5.84146 8.72056 12.2847 8.55616 11.4949 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 7.4014 6.28562 9.92106 5.39614 6.97487 6.3866 numMergedOcc 0
12 mol 194 unq 0 iso 0 dist 9.20864 15.0598 6.29314 15.2264 9.86703 9.37499 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 6.31342 9.91306 4.90724 7.13133 9.47117 11.8367 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 6.31342 9.74362 7.01671 7.13133 9.47117 14.4255 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 6.18798 10.0015 7.97156 5.72909 7.7574 5.75093 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 8.75957 11.2974 6.61098 10.3381 7.34094 10.7379 numMergedOcc 0
17 mol 264 unq 1 iso 0 dist 8.75957 14.3662 6.25794 10.3381 7.34094 10.3005 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.15288 9.07546 6.1432 7.30886 9.71152 4.82331 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 7.73965 14.9478 7.58233 5.01998 9.24417 16.7488 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 8.70062 12.463 9.99897 7.53523 5.59555 5.63261 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 8.70062 12.463 9.99897 7.53523 5.59555 5.63261 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 8.70062 12.463 9.99897 7.53523 5.59555 5.63261 numMergedOcc 0
