0 mol 1 unq 0 iso 0 dist 8.56884 6.09918 8.78328 7.4817 14.2607 7.73435 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.56884 6.09918 8.78328 7.63941 13.8816 5.71995 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.99126 7.8922 6.69972 5.02333 8.94096 5.00267 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 8.33604 7.3915 11.705 8.79272 15.8396 7.12263 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 8.33604 7.3915 11.705 6.32152 11.3054 5.00267 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 6.85412 9.78006 7.98363 11.0722 10.4906 5.55437 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 6.33889 9.78006 10.4204 11.0722 9.82483 5.55437 numMergedOcc 0
7 mol 9 unq 2 iso 0 dist 9.87449 7.032 6.93413 7.51034 8.22285 5.38458 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 8.78293 6.92532 15.1136 10.3648 18.7788 7.69625 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 8.23643 6.92532 6.87842 10.3648 13.0522 7.69625 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 8.73972 6.36455 6.87842 6.49317 13.0522 7.69625 numMergedOcc 0
11 mol 19 unq 3 iso 0 dist 6.00439 7.48847 6.34272 8.19436 11.4464 7.69625 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 7.82528 6.92532 6.34272 10.3648 11.4464 7.69625 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 8.66155 5.72642 5.87507 7.21418 9.62857 8.71286 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 6.99777 5.74857 6.03931 7.3094 9.9928 8.71286 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 9.14376 5.74857 5.99374 7.3094 9.68845 8.71286 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 9.63176 7.77116 8.96522 4.91132 5.85818 8.03035 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 9.63176 7.77116 8.96522 6.08167 13.4689 7.6968 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 8.6243 6.92648 6.01893 11.5688 13.7503 7.76594 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 6.91348 9.29384 6.01893 15.7796 13.7503 7.76594 numMergedOcc 0
20 mol 131 unq 2 iso 0 dist 9.51418 9.29384 15.1974 15.7796 22.682 7.76594 numMergedOcc 0
21 mol 140 unq 0 iso 0 dist 8.19104 5.39064 5.39245 8.83949 8.01587 6.98813 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 9.76015 10.162 8.26172 numMergedOcc 0
23 mol 156 unq 0 iso 0 dist 7.36119 7.73169 14.0853 5.82636 11.6744 4.9941 numMergedOcc 0
24 mol 156 unq 1 iso 0 dist 7.36119 5.38091 5.33988 6.44255 10.8344 5.90883 numMergedOcc 0
25 mol 156 unq 2 iso 0 dist 7.36119 5.38091 5.33988 5.82636 11.6744 8.06913 numMergedOcc 0
26 mol 163 unq 0 iso 0 dist 9.19209 8.5043 8.26893 3.89889 5.92747 8.23605 numMergedOcc 0
27 mol 175 unq 0 iso 0 dist 9.52634 5.4969 11.4433 4.24624 12.0318 7.32419 numMergedOcc 0
28 mol 175 unq 1 iso 0 dist 9.52634 6.4318 6.38017 4.24624 12.0318 8.31961 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 6.66155 11.0917 5.52678 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 6.47873 6.26839 6.8278 5.4499 11.2178 9.81666 numMergedOcc 0
31 mol 194 unq 2 iso 0 dist 5.48258 8.83356 7.69247 13.0333 13.1185 5.52678 numMergedOcc 0
32 mol 194 unq 3 iso 0 dist 5.48258 8.83356 7.69247 18.6469 16.6059 9.81666 numMergedOcc 0
33 mol 194 unq 4 iso 0 dist 6.15769 8.83356 13.9521 13.0333 18.6713 5.52678 numMergedOcc 0
34 mol 194 unq 5 iso 0 dist 6.15769 8.83356 13.9521 18.6469 23.5354 9.81666 numMergedOcc 0
35 mol 194 unq 6 iso 0 dist 8.38695 8.2654 6.8278 10.1796 11.0917 5.52678 numMergedOcc 0
36 mol 194 unq 7 iso 0 dist 8.38695 8.2654 6.8278 13.5457 11.2178 9.81666 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 8.53199 5.76954 8.21424 10.4526 16.9043 8.93185 numMergedOcc 0
38 mol 218 unq 1 iso 0 dist 8.53199 6.29511 10.1198 11.438 17.0082 9.06334 numMergedOcc 0
39 mol 227 unq 0 iso 0 dist 9.62609 5.4694 5.23507 7.22396 10.841 9.56257 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 8.17891 8.38865 5.92529 10.5813 7.1372 9.56257 numMergedOcc 0
41 mol 227 unq 2 iso 0 dist 6.95902 5.4694 5.92529 7.22396 7.1372 9.56257 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 9.68513 6.4398 6.48619 5.87253 9.47845 9.89583 numMergedOcc 0
43 mol 238 unq 1 iso 0 dist 9.29858 7.32982 6.48619 10.7551 9.47845 9.89583 numMergedOcc 0
44 mol 238 unq 2 iso 0 dist 9.90142 6.66971 5.8333 10.7508 6.92409 9.89583 numMergedOcc 0
45 mol 238 unq 3 iso 0 dist 5.9216 6.4398 5.8333 5.87253 6.92409 9.89583 numMergedOcc 0
46 mol 240 unq 0 iso 0 dist 6.15305 9.47583 9.75032 10.6074 15.1106 9.53915 numMergedOcc 0
47 mol 240 unq 1 iso 0 dist 7.03489 8.44909 9.75032 9.23135 15.1106 9.53915 numMergedOcc 0
48 mol 240 unq 2 iso 0 dist 8.0951 9.47583 12.9871 10.6074 14.5055 9.53915 numMergedOcc 0
