0 mol 43 unq 0 iso 0 dist 8.06275 8.74209 5.41726 9.83489 8.03754 12.8366 5.5249 8.80331 6.6263 14.0204 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.06275 8.74209 5.41726 9.83489 8.03754 12.8366 10.4413 6.20293 6.75943 13.1056 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 6.77833 8.63204 12.7012 5.81368 9.74802 12.5945 5.33532 9.65964 13.3074 5.43139 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 6.77833 5.4014 8.20805 5.81368 9.74802 10.749 5.33532 9.65964 10.4272 5.43139 numMergedOcc 0
4 mol 70 unq 2 iso 0 dist 9.83265 9.19079 12.7012 3.88245 9.74802 12.5945 7.6455 9.65964 13.3074 5.43139 numMergedOcc 0
5 mol 70 unq 3 iso 0 dist 9.83265 8.37742 8.20805 3.88245 9.74802 10.749 7.6455 9.65964 10.4272 5.43139 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.29446 8.56119 9.76194 5.64101 5.68286 10.4541 11.2307 7.9245 15.2056 5.73349 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.26438 6.62354 5.00433 16.2476 9.41191 14.206 5.68669 8.69985 8.52024 12.7291 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 6.43255 8.00085 5.00433 9.88245 9.41191 14.206 6.80429 8.69985 8.52024 12.7291 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 8.47907 6.91978 6.9791 14.9119 8.75778 15.5348 9.75696 8.37808 11.6822 9.00329 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 9.42271 7.76446 15.9138 10.9017 8.86784 15.5741 6.16353 6.54501 12.4385 5.15251 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 9.42271 7.76446 15.9138 10.9017 8.86784 15.5741 7.07625 6.49416 11.0808 6.65283 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 9.42271 6.14652 12.3479 10.9017 8.86784 15.2447 6.16353 6.54501 11.2896 5.15251 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 9.42271 6.14652 12.3479 10.9017 8.86784 15.2447 7.07625 6.49416 9.33094 6.65283 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 8.6893 8.41774 12.9285 5.65129 8.56324 6.59889 13.1435 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 8.34839 9.4275 5.39112 8.6893 8.41774 12.9285 10.5295 6.70283 6.70693 13.793 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 8.34839 9.4275 5.39112 8.6893 8.41774 12.9285 10.7929 7.16148 10.4895 11.2124 numMergedOcc 0
17 mol 152 unq 3 iso 0 dist 8.34839 9.83462 4.84714 8.6893 8.41774 11.2309 5.65129 8.56324 8.9192 13.1435 numMergedOcc 0
18 mol 152 unq 4 iso 0 dist 8.34839 9.83462 4.84714 8.6893 8.41774 11.2309 10.5295 6.70283 9.27706 13.793 numMergedOcc 0
19 mol 152 unq 5 iso 0 dist 8.34839 9.83462 4.84714 8.6893 8.41774 11.2309 10.7929 7.16148 11.6735 11.2124 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 8.04723 8.81097 10.8373 8.33307 9.63185 16.4833 14.4072 6.69288 15.7548 14.4816 numMergedOcc 0
21 mol 178 unq 1 iso 0 dist 8.04723 8.81097 10.8373 8.33307 9.63185 16.4833 13.0519 6.43573 17.2277 10.2893 numMergedOcc 0
22 mol 178 unq 2 iso 0 dist 8.04723 8.81097 10.8373 8.33307 9.63185 16.4833 10.5681 7.17202 13.544 9.7684 numMergedOcc 0
23 mol 178 unq 3 iso 0 dist 8.04723 8.81097 10.8373 8.33307 9.63185 16.4833 9.1499 8.81551 15.2622 5.37264 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 6.88694 9.90415 7.22525 5.19315 8.83023 14.0673 6.52416 7.03423 7.27993 9.15968 numMergedOcc 0
25 mol 229 unq 1 iso 0 dist 6.88694 9.90415 7.22525 5.19315 8.83023 14.0673 11.1919 9.06952 11.9869 10.6678 numMergedOcc 0
26 mol 229 unq 2 iso 0 dist 6.88694 6.92268 4.92403 5.19315 8.83023 9.60329 6.52416 7.03423 10.3243 9.15968 numMergedOcc 0
27 mol 229 unq 3 iso 0 dist 6.88694 6.92268 4.92403 5.19315 8.83023 9.60329 11.1919 9.06952 13.7137 10.6678 numMergedOcc 0
28 mol 236 unq 0 iso 0 dist 8.95071 5.9625 10.5937 5.81446 5.90804 8.75172 18.4732 9.99038 19.0739 13.6195 numMergedOcc 0
29 mol 236 unq 1 iso 0 dist 8.95071 5.9625 10.5937 5.81446 5.90804 8.75172 12.8358 6.27581 15.106 7.45579 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 7.23956 9.22453 3.97543 10.2688 4.81916 6.42951 15.6875 9.7748 12.1398 7.94155 numMergedOcc 0
