0 mol 1 unq 0 iso 0 dist 9.00903 8.56884 9.01967 6.09918 7.94662 8.78328 7.4817 9.12196 14.2607 7.73435 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.00903 8.56884 9.01967 6.09918 7.94662 8.78328 7.63941 12.0025 13.8816 5.71995 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.96553 8.33604 8.27181 7.3915 7.43529 11.705 8.79272 11.2076 15.8396 7.12263 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 8.96553 8.33604 8.27181 7.3915 7.43529 11.705 6.32152 10.715 11.3054 5.00267 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 9.78006 3.98483 7.98363 11.0722 8.83269 10.4906 5.55437 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 9.78006 3.98483 10.4204 11.0722 8.83269 9.82483 5.55437 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 7.20519 8.78293 5.31524 6.92532 12.3486 15.1136 10.3648 17.4261 18.7788 7.69625 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 7.20519 8.23643 11.0832 6.92532 12.3486 6.87842 10.3648 17.4261 13.0522 7.69625 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 7.20519 7.82528 10.4988 6.92532 12.3486 6.34272 10.3648 17.4261 11.4464 7.69625 numMergedOcc 0
9 mol 19 unq 3 iso 0 dist 4.54938 8.78293 10.9543 6.92532 5.18512 15.1136 10.3648 11.6624 18.7788 7.69625 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 4.54938 8.23643 6.55187 6.92532 5.18512 6.87842 10.3648 11.6624 13.0522 7.69625 numMergedOcc 0
11 mol 19 unq 5 iso 0 dist 4.54938 7.82528 5.14627 6.92532 5.18512 6.34272 10.3648 11.6624 11.4464 7.69625 numMergedOcc 0
12 mol 19 unq 6 iso 0 dist 7.82074 8.73972 6.55187 6.36455 5.18512 6.87842 6.49317 11.6624 13.0522 7.69625 numMergedOcc 0
13 mol 19 unq 7 iso 0 dist 6.864 8.78293 11.4401 6.92532 9.47529 15.1136 10.3648 13.8921 18.7788 7.69625 numMergedOcc 0
14 mol 19 unq 8 iso 0 dist 6.864 8.23643 12.3093 6.92532 9.47529 6.87842 10.3648 13.8921 13.0522 7.69625 numMergedOcc 0
15 mol 19 unq 9 iso 0 dist 6.864 7.82528 4.69858 6.92532 9.47529 6.34272 10.3648 13.8921 11.4464 7.69625 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 7.30858 8.66155 11.3902 5.72642 5.61704 5.87507 7.21418 10.0289 9.62857 8.71286 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 5.83991 8.66155 6.09023 5.72642 6.4497 5.87507 7.21418 10.9766 9.62857 8.71286 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 6.11741 6.99777 10.8292 5.74857 6.08806 6.03931 7.3094 10.9734 9.9928 8.71286 numMergedOcc 0
19 mol 115 unq 3 iso 0 dist 6.11741 9.14376 6.12943 5.74857 6.08806 5.99374 7.3094 10.9734 9.68845 8.71286 numMergedOcc 0
20 mol 115 unq 4 iso 0 dist 7.88312 8.66155 4.61908 5.72642 7.3094 5.87507 7.21418 5.74857 9.62857 8.71286 numMergedOcc 0
21 mol 115 unq 5 iso 0 dist 7.88312 6.99777 11.7126 5.74857 7.21418 6.03931 7.3094 5.72642 9.9928 8.71286 numMergedOcc 0
22 mol 115 unq 6 iso 0 dist 7.88312 9.14376 4.62962 5.74857 7.21418 5.99374 7.3094 5.72642 9.68845 8.71286 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 7.77116 3.78311 8.96522 4.91132 8.56342 5.85818 8.03035 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 7.77116 3.78311 8.96522 6.08167 6.37542 13.4689 7.6968 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 7.12972 8.6243 6.19596 6.92648 9.32969 6.01893 11.5688 16.4092 13.7503 7.76594 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 6.85062 6.91348 6.19596 9.29384 9.32969 6.01893 15.7796 16.4092 13.7503 7.76594 numMergedOcc 0
27 mol 131 unq 2 iso 0 dist 6.85062 9.51418 6.6499 9.29384 9.32969 15.1974 15.7796 16.4092 22.682 7.76594 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 8.34702 7.36119 11.787 7.73169 5.71107 14.0853 5.82636 6.2319 11.6744 4.9941 numMergedOcc 0
29 mol 156 unq 1 iso 0 dist 8.34702 7.36119 11.787 5.38091 10.7023 5.33988 6.44255 9.43259 10.8344 5.90883 numMergedOcc 0
30 mol 156 unq 2 iso 0 dist 8.34702 7.36119 11.787 5.38091 10.7023 5.33988 5.82636 6.2319 11.6744 8.06913 numMergedOcc 0
31 mol 156 unq 3 iso 0 dist 9.06726 7.36119 7.71144 7.73169 11.2067 14.0853 5.82636 9.97732 11.6744 4.9941 numMergedOcc 0
32 mol 156 unq 4 iso 0 dist 9.06726 7.36119 7.71144 5.38091 9.00862 5.33988 6.44255 11.1392 10.8344 5.90883 numMergedOcc 0
33 mol 156 unq 5 iso 0 dist 9.06726 7.36119 7.71144 5.38091 9.00862 5.33988 5.82636 9.97732 11.6744 8.06913 numMergedOcc 0
34 mol 156 unq 6 iso 0 dist 8.33171 7.36119 9.22231 7.73169 9.44399 14.0853 5.82636 10.5243 11.6744 4.9941 numMergedOcc 0
35 mol 156 unq 7 iso 0 dist 8.33171 7.36119 9.22231 5.38091 11.1271 5.33988 6.44255 12.8935 10.8344 5.90883 numMergedOcc 0
36 mol 156 unq 8 iso 0 dist 8.33171 7.36119 9.22231 5.38091 11.1271 5.33988 5.82636 10.5243 11.6744 8.06913 numMergedOcc 0
37 mol 175 unq 0 iso 0 dist 9.29945 9.52634 9.11521 5.4969 12.3408 11.4433 4.24624 8.0154 12.0318 7.32419 numMergedOcc 0
38 mol 175 unq 1 iso 0 dist 9.29945 9.52634 9.11521 6.4318 8.68081 6.38017 4.24624 8.0154 12.0318 8.31961 numMergedOcc 0
39 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 10.5813 8.03442 7.1372 9.56257 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 8.65997 9.62609 14.6185 5.4694 11.0628 5.23507 7.22396 8.03442 10.841 9.56257 numMergedOcc 0
41 mol 227 unq 2 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 7.22396 8.03442 7.1372 9.56257 numMergedOcc 0
42 mol 227 unq 3 iso 0 dist 7.09863 8.17891 9.13836 8.38865 12.9587 5.92529 10.5813 12.2278 7.1372 9.56257 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 5.72887 9.29858 13.069 7.32982 12.3808 6.48619 10.7551 11.2809 9.47845 9.89583 numMergedOcc 0
