0 mol 38 unq 0 iso 0 dist 7.96306 5.96514 4.74069 5.73067 7.46414 7.26639 5.79134 8.80956 4.40004 7.50293 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 7.96306 5.96514 4.74069 5.73067 7.46414 7.26639 5.48241 12.4417 8.68364 9.91611 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.09675 10.8441 5.82056 12.1964 4.30874 5.5087 19.3492 11.6749 11.2069 8.70481 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.09675 15.2203 9.09115 12.1964 4.30874 6.08682 19.3492 11.6749 10.6713 8.70481 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 9.02753 13.7625 5.82056 13.0791 4.30874 5.5087 19.9432 11.6749 11.2069 8.70481 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 9.02753 17.5374 9.09115 13.0791 4.30874 6.08682 19.9432 11.6749 10.6713 8.70481 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 7.13958 9.63308 9.31543 9.28278 4.80675 6.69691 14.5776 10.1938 8.26896 8.54584 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 7.13958 9.05571 8.85652 9.28278 4.80675 5.51197 14.5776 10.1938 12.1739 8.54584 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 9.92685 12.989 9.67398 15.3663 7.09664 6.93139 10.5415 9.05626 4.97996 8.70949 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.06614 10.7814 9.7105 13.2491 9.71227 7.22643 5.27217 7.15203 6.9945 8.22656 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.06614 10.7814 9.7105 13.2491 9.71227 7.22643 10.2244 11.0475 4.19723 6.82262 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 5.16143 5.05961 5.55218 12.6683 13.8829 8.97626 11.374 14.5075 9.16779 7.46303 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 5.16143 5.05961 5.55218 12.6683 13.8829 8.97626 9.80448 9.91732 4.91785 6.43582 numMergedOcc 0
13 mol 155 unq 2 iso 0 dist 8.08392 5.68679 5.55218 11.1867 13.8829 8.97626 11.7329 14.5075 9.16779 7.46303 numMergedOcc 0
14 mol 155 unq 3 iso 0 dist 8.08392 5.68679 5.55218 11.1867 13.8829 8.97626 4.94973 9.91732 4.91785 6.43582 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 7.84215 10.0544 6.75579 8.87534 4.25942 6.52816 10.0861 9.82156 9.49403 6.03031 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 7.84215 10.0544 6.75579 8.87534 4.25942 6.52816 13.5482 10.4618 13.514 7.26832 numMergedOcc 0
17 mol 205 unq 2 iso 0 dist 7.84215 10.0544 6.75579 8.87534 4.25942 6.52816 10.6076 9.3629 3.56269 7.80463 numMergedOcc 0
18 mol 205 unq 3 iso 0 dist 7.97183 6.96644 6.75579 5.96555 4.25942 6.52816 4.6995 9.82156 9.49403 6.03031 numMergedOcc 0
19 mol 205 unq 4 iso 0 dist 7.97183 6.96644 6.75579 5.96555 4.25942 6.52816 10.7091 10.4618 13.514 7.26832 numMergedOcc 0
20 mol 205 unq 5 iso 0 dist 7.97183 6.96644 6.75579 5.96555 4.25942 6.52816 5.87892 9.3629 3.56269 7.80463 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.29888 16.4705 9.67281 9.01016 7.01206 9.12776 15.0245 13.8075 10.3162 7.31233 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 9.29888 16.4705 9.67281 19.4197 11.2453 9.72188 20.602 11.7876 7.06793 5.72887 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 8.06908 5.49348 8.40328 9.54857 6.18571 5.85442 15.3806 13.6279 10.067 7.46176 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 8.06908 5.49348 8.40328 9.56653 12.3834 6.9899 10.0253 14.9752 7.09907 5.30224 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 8.06908 5.13138 8.2518 14.0139 11.0067 9.46361 16.7125 16.342 12.2293 8.13497 numMergedOcc 0
26 mol 259 unq 3 iso 0 dist 8.06908 5.13138 8.2518 14.0139 11.0067 9.46361 15.3806 13.6279 11.6988 7.88519 numMergedOcc 0
27 mol 259 unq 4 iso 0 dist 8.06908 5.13138 8.2518 9.54857 6.18571 6.95511 15.3806 13.6279 11.6988 7.46176 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 7.38085 3.7218 5.38409 9.64596 4.78295 6.44147 5.26991 8.82094 5.12237 8.48753 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 6.70414 12.2421 9.91103 9.29635 5.77904 8.9682 10.8075 8.35794 17.6038 9.7748 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 6.70414 10.9521 7.0603 9.29635 5.77904 6.92711 10.8075 8.35794 14.772 9.7748 numMergedOcc 0
31 mol 280 unq 0 iso 0 dist 6.0218 5.55901 7.4869 9.16248 6.07005 6.02353 10.0206 10.6192 4.90315 6.53701 numMergedOcc 0
32 mol 280 unq 1 iso 0 dist 6.0218 5.55901 7.4869 9.02427 7.38048 6.86234 10.0206 10.6192 4.90315 6.0664 numMergedOcc 0
