0 mol 7 unq 0 iso 0 dist 7.10621 7.31201 10.789 9.36807 10.515 6.57017 5.44992 5.72491 9.55056 7.45262 12.2333 12.2041 12.2708 6.06176 7.88043 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 7.31201 10.789 9.36807 10.515 6.57017 4.74523 9.67579 7.57354 6.96586 12.2333 12.2041 12.2708 6.06176 8.80762 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.36807 10.515 7.31201 10.789 6.57017 5.44992 5.72491 7.45262 9.55056 12.2333 12.2041 6.06176 12.2708 7.88043 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 9.36807 10.515 7.31201 10.789 6.57017 4.74523 9.67579 6.96586 7.57354 12.2333 12.2041 6.06176 12.2708 8.80762 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 6.33889 11.4878 6.85412 8.27962 5.80437 11.0722 8.83269 9.82483 10.4906 15.1483 9.76038 13.5628 11.4276 7.05346 numMergedOcc 0
5 mol 16 unq 0 iso 0 dist 5.46498 8.41862 6.73355 6.58035 5.94084 10.9633 6.70071 6.56335 7.40724 11.6017 9.80614 5.5251 4.77289 10.9337 7.2668 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 6.11741 6.99777 10.8292 9.14376 6.12943 11.889 7.3094 10.9734 9.9928 9.68845 7.88312 7.69052 11.7126 4.62962 5.72642 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.87172 6.19042 6.35763 9.38288 11.7228 6.59581 7.61939 7.99857 9.87025 15.0419 12.6489 4.85907 10.0197 16.1459 8.56342 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 9.87172 6.19042 6.35763 7.44174 7.36192 8.58342 7.61939 7.99857 9.87025 5.85818 12.6489 4.85907 10.0197 10.6679 8.56342 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 9.87172 7.44174 7.36192 9.38288 11.7228 11.6138 7.61939 7.99857 5.85818 15.0419 12.6489 4.85907 10.6679 16.1459 8.56342 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 9.87172 7.44174 7.36192 6.19042 6.35763 8.58342 7.61939 7.99857 5.85818 9.87025 12.6489 4.85907 10.6679 10.0197 8.56342 numMergedOcc 0
11 mol 119 unq 4 iso 0 dist 6.18601 8.43904 10.3457 9.80862 9.35964 4.84196 10.326 14.6439 9.87025 14.4611 10.1813 10.9871 6.35763 9.64166 7.99857 numMergedOcc 0
12 mol 119 unq 5 iso 0 dist 6.18601 8.43904 10.3457 9.80862 9.35964 4.84196 10.326 14.6439 9.87025 14.4611 9.72413 9.93257 10.0197 12.6801 8.56342 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 8.74308 6.76754 6.09983 6.97875 10.3572 6.82089 5.38314 15.2264 15.7504 10.3933 9.16988 9.28592 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 8.70949 8.74308 6.76754 6.89257 8.84655 6.09983 6.97875 10.3572 5.38314 6.82089 15.2264 15.7504 9.16988 10.3933 9.28592 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 5.98885 7.20046 5.4601 7.13543 10.0524 6.33699 5.93488 6.51749 7.345 9.52987 9.09537 10.1912 6.14208 5.95965 7.20392 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 5.98885 7.13543 10.0524 7.20046 5.4601 6.33699 5.93488 6.51749 9.52987 7.345 9.09537 10.1912 5.95965 6.14208 7.20392 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 9.09537 7.20046 6.14208 7.13543 5.95965 6.33699 5.93488 7.20392 7.345 9.52987 5.98885 10.1912 5.4601 10.0524 6.51749 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 9.09537 7.13543 5.95965 7.20046 6.14208 6.33699 5.93488 7.20392 9.52987 7.345 5.98885 10.1912 10.0524 5.4601 6.51749 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 7.31233 6.55759 10.4664 7.02475 11.2717 6.44245 7.83352 5.64181 8.6597 7.47235 13.1583 6.85126 13.3539 14.7509 7.61393 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 7.31233 6.55759 10.4664 7.67322 12.6986 10.677 7.83352 5.64181 8.6597 10.3116 13.1583 6.85126 13.3539 17.6983 7.61393 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 7.31233 6.55759 10.4664 7.19008 5.17471 12.1411 7.83352 5.64181 8.6597 6.44735 13.1583 6.85126 13.3539 10.7999 7.61393 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 7.31233 7.02475 11.2717 6.55759 10.4664 6.44245 7.83352 5.64181 7.47235 8.6597 13.1583 6.85126 14.7509 13.3539 7.61393 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 7.31233 7.02475 11.2717 7.67322 12.6986 5.44694 7.83352 5.64181 7.47235 10.3116 13.1583 6.85126 14.7509 17.6983 7.61393 numMergedOcc 0
24 mol 238 unq 5 iso 0 dist 7.31233 7.02475 11.2717 7.19008 5.17471 10.1756 7.83352 5.64181 7.47235 6.44735 13.1583 6.85126 14.7509 10.7999 7.61393 numMergedOcc 0
25 mol 238 unq 6 iso 0 dist 7.31233 7.67322 12.6986 6.55759 10.4664 10.677 11.0349 11.9624 7.61203 15.7712 11.5794 10.1813 11.6239 17.2608 5.52379 numMergedOcc 0
26 mol 238 unq 7 iso 0 dist 7.31233 7.67322 12.6986 7.02475 11.2717 5.44694 11.0349 11.9624 7.61203 11.0295 11.5794 10.1813 11.6239 14.2685 5.52379 numMergedOcc 0
27 mol 238 unq 8 iso 0 dist 7.31233 7.67322 12.6986 7.19008 5.17471 9.50847 11.0349 11.9624 7.61203 6.89694 11.5794 10.1813 11.6239 5.54325 5.52379 numMergedOcc 0
28 mol 238 unq 9 iso 0 dist 7.31233 7.19008 5.17471 6.55759 10.4664 12.1411 11.0349 11.9624 6.89694 15.7712 11.5794 10.1813 5.54325 17.2608 5.52379 numMergedOcc 0
29 mol 238 unq 10 iso 0 dist 7.31233 7.19008 5.17471 6.55759 10.4664 12.1411 7.83352 5.64181 6.44735 8.6597 13.1583 6.85126 10.7999 13.3539 7.61393 numMergedOcc 0
30 mol 238 unq 11 iso 0 dist 7.31233 7.19008 5.17471 7.02475 11.2717 10.1756 11.0349 11.9624 6.89694 11.0295 11.5794 10.1813 5.54325 14.2685 5.52379 numMergedOcc 0
31 mol 238 unq 12 iso 0 dist 7.31233 7.19008 5.17471 7.02475 11.2717 10.1756 7.83352 5.64181 6.44735 7.47235 13.1583 6.85126 10.7999 14.7509 7.61393 numMergedOcc 0
32 mol 238 unq 13 iso 0 dist 7.31233 7.19008 5.17471 7.67322 12.6986 9.50847 11.0349 11.9624 6.89694 7.61203 11.5794 10.1813 5.54325 11.6239 5.52379 numMergedOcc 0
33 mol 238 unq 14 iso 0 dist 7.31233 7.19008 5.17471 7.67322 12.6986 9.50847 7.83352 5.64181 6.44735 10.3116 13.1583 6.85126 10.7999 17.6983 7.61393 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 7.00034 7.39747 6.26168 8.1777 5.39146 4.89061 5.66732 10.2163 7.18771 7.94894 13.6473 14.7505 10.0774 9.8202 8.67805 numMergedOcc 0
35 mol 239 unq 1 iso 0 dist 7.00034 8.1777 5.39146 7.39747 6.26168 4.89061 5.66732 10.2163 7.94894 7.18771 13.6473 14.7505 9.8202 10.0774 8.67805 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 9.97651 6.16449 4.72202 9.09992 10.841 9.75529 4.86504 9.64269 7.55161 11.7075 10.1698 6.6954 8.5751 12.5206 6.88809 numMergedOcc 0
37 mol 272 unq 1 iso 0 dist 9.97651 6.16449 4.72202 9.09992 10.841 9.75529 4.86504 9.64269 7.55161 11.7075 8.46116 8.12676 8.52877 5.63139 8.46061 numMergedOcc 0
38 mol 272 unq 2 iso 0 dist 8.46116 6.16449 8.52877 9.09992 5.63139 9.75529 4.86504 8.46061 7.55161 11.7075 9.97651 8.12676 4.72202 10.841 9.64269 numMergedOcc 0
39 mol 272 unq 3 iso 0 dist 8.46116 6.16449 8.52877 9.09992 5.63139 9.75529 4.86504 8.46061 7.55161 11.7075 10.1698 7.34222 8.5751 12.5206 6.88809 numMergedOcc 0
