0 mol 28 unq 0 iso 0 dist 9.48095 6.46236 8.71168 4.81564 7.27726 3.97968 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.61643 12.0744 8.71168 9.34808 7.27726 3.97968 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.85208 9.86606 8.71168 6.18197 7.27726 3.97968 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 5.66828 5.81034 8.48456 11.6544 7.27726 13.1749 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 8.78393 4.27997 8.0757 12.0232 6.43837 9.10389 numMergedOcc 0
5 mol 56 unq 1 iso 0 dist 8.78393 11.9782 9.8958 12.0232 6.43837 9.74441 numMergedOcc 0
6 mol 56 unq 2 iso 0 dist 8.99619 6.41952 8.0757 6.69661 6.43837 9.10389 numMergedOcc 0
7 mol 56 unq 3 iso 0 dist 8.99619 4.83605 9.8958 6.69661 6.43837 9.74441 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 9.05693 5.35193 8.10769 8.00419 9.00605 7.5392 numMergedOcc 0
9 mol 99 unq 0 iso 0 dist 9.49001 9.15595 9.39801 6.09006 8.6681 10.1135 numMergedOcc 0
10 mol 99 unq 1 iso 0 dist 9.49001 6.73829 6.02154 6.09006 8.6681 5.75293 numMergedOcc 0
11 mol 101 unq 0 iso 0 dist 8.70947 8.24111 9.60223 13.6578 9.32983 11.4465 numMergedOcc 0
12 mol 101 unq 1 iso 0 dist 8.70947 5.23253 7.11476 13.6578 9.32983 8.67739 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 8.32304 6.8279 6.45169 8.12752 6.27699 4.71928 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 9.98924 4.63241 7.85183 12.9061 9.52328 8.3041 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 7.38306 4.74273 7.85183 6.94063 9.52328 8.3041 numMergedOcc 0
16 mol 171 unq 2 iso 0 dist 9.94668 7.73766 4.59484 15.9646 9.52328 9.88447 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.42211 5.26611 8.55294 7.3748 8.10034 11.4557 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 8.621 13.2093 7.0412 15.6218 9.24959 7.16132 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 6.45589 6.51571 5.77828 9.75238 9.93547 4.35015 numMergedOcc 0
20 mol 241 unq 0 iso 0 dist 8.92649 5.14928 8.00841 4.84723 9.96797 9.5511 numMergedOcc 0
21 mol 276 unq 0 iso 0 dist 9.42598 9.07547 7.01597 4.41265 8.12227 10.8127 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 6.74021 5.33357 8.52827 9.55563 8.65842 8.33626 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 6.74021 9.67694 7.14122 9.55563 8.65842 5.47219 numMergedOcc 0
