0 mol 28 unq 0 iso 0 dist 5.32719 10.6532 5.63315 8.51428 5.51163 7.66985 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.32719 10.6532 5.63315 9.28621 6.37119 9.17482 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 7.03702 9.79971 5.63315 10.8929 5.51163 7.66985 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 7.03702 9.79971 5.63315 12.6599 6.37119 9.17482 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 9.44455 6.75104 6.13181 11.4228 3.98123 9.63353 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.16531 4.55916 5.51624 12.0633 5.99863 9.30843 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 8.16531 15.9068 7.8674 12.0633 5.99863 6.25522 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 8.16531 15.9068 7.8674 11.0168 6.15015 7.87145 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 8.16531 15.9068 7.8674 15.9221 10.9803 9.30914 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 8.98593 13.8162 5.51624 12.2711 5.99863 9.30843 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 8.98593 8.93352 7.8674 12.2711 5.99863 6.25522 numMergedOcc 0
11 mol 93 unq 6 iso 0 dist 8.98593 8.93352 7.8674 10.1686 6.15015 7.87145 numMergedOcc 0
12 mol 93 unq 7 iso 0 dist 8.98593 8.93352 7.8674 11.2711 10.9803 9.30914 numMergedOcc 0
13 mol 105 unq 0 iso 0 dist 8.5972 10.7812 8.44437 15.6282 8.03743 9.09664 numMergedOcc 0
14 mol 105 unq 1 iso 0 dist 7.29506 6.50376 8.44437 10.9758 8.03743 9.09664 numMergedOcc 0
15 mol 140 unq 0 iso 0 dist 9.38985 7.15526 5.39314 10.7541 4.77448 8.3735 numMergedOcc 0
16 mol 140 unq 1 iso 0 dist 9.38985 6.48195 5.3573 10.7541 4.77448 9.25342 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 8.86754 4.88633 8.93453 11.44 5.50466 8.88454 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.3516 7.96634 8.60521 10.2929 4.78989 5.42715 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 9.3516 7.96634 8.60521 15.5891 9.43672 9.70575 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 9.3516 5.35395 6.39031 10.2929 4.78989 7.34557 numMergedOcc 0
21 mol 162 unq 0 iso 0 dist 8.6792 12.783 8.53374 12.7724 5.21512 5.97934 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 6.32364 12.7836 7.31113 9.79219 5.15592 9.61703 numMergedOcc 0
23 mol 237 unq 1 iso 0 dist 7.61091 12.7836 9.84466 9.79219 8.0982 9.61703 numMergedOcc 0
24 mol 250 unq 0 iso 0 dist 7.78686 15.9371 9.60364 13.9612 6.28121 8.62514 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 7.30709 4.75467 8.3149 4.76164 4.05076 4.64695 numMergedOcc 0
26 mol 281 unq 0 iso 0 dist 9.76311 7.15594 4.95189 12.5065 9.3694 8.2659 numMergedOcc 0
