0 mol 2 unq 0 iso 0 dist 9.9335 7.26738 11.0251 7.99162 11.2776 5.7104 numMergedOcc 0
1 mol 4 unq 0 iso 0 dist 6.22303 7.02225 5.79308 9.31285 6.39302 7.41754 numMergedOcc 0
2 mol 4 unq 1 iso 0 dist 6.22303 7.02225 5.79308 8.66947 6.8787 12.1293 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 9.8592 7.92316 13.2572 8.48743 10.2888 5.95307 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 5.29239 8.67161 6.63489 9.91591 4.93453 6.17445 numMergedOcc 0
5 mol 55 unq 1 iso 0 dist 5.29239 8.87902 6.37473 9.91591 4.93453 7.21232 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 9.16791 8.53232 11.3604 8.29727 8.77472 9.22675 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 6.57452 8.53232 10.5803 8.29727 5.16822 9.22675 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 9.26484 9.60641 16.8738 8.30653 11.3192 11.76 numMergedOcc 0
9 mol 70 unq 1 iso 0 dist 9.26484 9.60641 16.8738 6.91739 6.39257 11.4099 numMergedOcc 0
10 mol 70 unq 2 iso 0 dist 9.26484 7.19617 14.4156 8.30653 11.3192 5.91569 numMergedOcc 0
11 mol 70 unq 3 iso 0 dist 9.26484 7.19617 14.4156 6.91739 6.39257 9.43671 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 7.90927 9.2958 8.81187 8.84131 9.9427 9.50884 numMergedOcc 0
13 mol 102 unq 1 iso 0 dist 6.7095 9.2958 8.26254 8.84131 7.49575 9.50884 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 6.15949 5.37661 7.22809 6.99793 7.65733 4.24853 numMergedOcc 0
15 mol 114 unq 1 iso 0 dist 6.15949 5.37661 7.22809 6.71345 5.24877 9.52181 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 9.18707 9.17664 11.2217 8.64107 5.74878 12.4408 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 9.18707 9.17664 11.2217 9.50575 11.7723 5.47689 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 5.91786 9.17664 6.0336 8.64107 7.09627 12.4408 numMergedOcc 0
19 mol 115 unq 3 iso 0 dist 5.91786 9.17664 6.0336 9.50575 7.10772 5.47689 numMergedOcc 0
20 mol 128 unq 0 iso 0 dist 8.20904 7.44771 4.98106 8.3127 11.1747 6.59161 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 9.3355 7.24761 6.33374 8.04723 13.6129 12.0146 numMergedOcc 0
22 mol 209 unq 0 iso 0 dist 9.20752 7.95916 7.69777 5.92907 9.95971 12.1401 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 7.72368 7.36479 5.70552 7.80612 6.64693 7.95216 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 6.93654 9.12695 13.2889 9.80409 13.3163 10.7859 numMergedOcc 0
25 mol 261 unq 1 iso 0 dist 9.66298 9.12695 16.7638 9.80409 13.6041 10.7859 numMergedOcc 0
26 mol 280 unq 0 iso 0 dist 8.64546 7.53963 13.9012 6.94723 6.0971 10.9032 numMergedOcc 0
27 mol 280 unq 1 iso 0 dist 4.55639 7.53963 6.12141 6.94723 6.96139 10.9032 numMergedOcc 0
28 mol 281 unq 0 iso 0 dist 6.81536 9.70995 15.779 9.37845 5.81338 18.3077 numMergedOcc 0
