0 mol 7 unq 0 iso 0 dist 9.20552 14.3372 6.8464 15.1647 8.41585 5.0893 8.16305 7.78327 10.1033 13.5229 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 9.83489 8.03754 5.5249 8.80331 14.0204 7.62357 9.02471 3.83842 12.6657 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.06275 9.83489 8.03754 10.4413 6.20293 13.1056 7.62357 9.02471 3.83842 14.0654 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 8.90024 14.6778 8.03754 13.9129 8.80331 14.0204 16.9091 9.02471 3.83842 12.6657 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 8.90024 14.6778 8.03754 5.84171 6.20293 13.1056 16.9091 9.02471 3.83842 14.0654 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 9.29446 5.64101 5.68286 11.2307 7.9245 5.73349 13.5358 7.69072 7.92963 3.46486 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 8.47907 14.9119 8.75778 9.75696 8.37808 9.00329 12.1473 4.42563 6.39355 7.90729 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 8.34839 8.6893 8.41774 5.65129 8.56324 13.1435 14.1262 9.00072 15.2106 12.2243 numMergedOcc 0
8 mol 152 unq 1 iso 0 dist 8.34839 8.6893 8.41774 10.5295 6.70283 13.793 14.1262 9.00072 15.2106 4.73288 numMergedOcc 0
9 mol 152 unq 2 iso 0 dist 8.34839 8.6893 8.41774 10.7929 7.16148 11.2124 14.1262 9.00072 15.2106 4.70284 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 6.53913 13.5763 9.23645 12.4033 9.87651 6.45463 5.60897 5.36671 11.1876 12.8624 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 8.04723 8.33307 9.63185 14.4072 6.69288 14.4816 12.3914 4.72821 11.1931 4.69387 numMergedOcc 0
12 mol 178 unq 1 iso 0 dist 8.04723 8.33307 9.63185 13.0519 6.43573 10.2893 12.3914 4.72821 11.1931 3.70233 numMergedOcc 0
13 mol 178 unq 2 iso 0 dist 8.04723 8.33307 9.63185 10.5681 7.17202 9.7684 12.3914 4.72821 11.1931 7.39705 numMergedOcc 0
14 mol 178 unq 3 iso 0 dist 8.04723 8.33307 9.63185 9.1499 8.81551 5.37264 12.3914 4.72821 11.1931 9.77268 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 8.57514 8.8747 6.94789 5.56395 9.61492 6.98812 13.7017 9.31158 10.5366 10.8636 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 8.57514 8.8747 6.94789 12.397 7.45763 12.019 13.7017 9.31158 10.5366 5.42503 numMergedOcc 0
17 mol 205 unq 2 iso 0 dist 8.57514 12.2424 6.23932 5.56395 9.61492 13.4557 13.7017 9.31158 9.27501 10.8636 numMergedOcc 0
18 mol 205 unq 3 iso 0 dist 8.57514 12.2424 6.23932 12.397 7.45763 4.37383 13.7017 9.31158 9.27501 5.42503 numMergedOcc 0
19 mol 205 unq 4 iso 0 dist 6.11505 9.55713 6.94789 9.35174 9.61492 6.98812 13.9601 9.31158 10.5366 10.8636 numMergedOcc 0
20 mol 205 unq 5 iso 0 dist 6.11505 9.55713 6.94789 11.3225 7.45763 12.019 13.9601 9.31158 10.5366 5.42503 numMergedOcc 0
21 mol 205 unq 6 iso 0 dist 6.11505 9.51216 6.23932 9.35174 9.61492 13.4557 13.9601 9.31158 9.27501 10.8636 numMergedOcc 0
22 mol 205 unq 7 iso 0 dist 6.11505 9.51216 6.23932 11.3225 7.45763 4.37383 13.9601 9.31158 9.27501 5.42503 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 8.58471 12.9787 6.13878 10.3518 6.18308 5.4508 8.19655 6.85824 6.59517 4.29623 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 7.23956 10.2688 4.81916 15.6875 9.7748 7.94155 9.7252 4.9764 9.21484 11.8607 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 7.23956 10.2688 4.81916 15.6875 9.7748 7.94155 10.5201 6.36559 10.3506 10.9137 numMergedOcc 0
