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 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 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 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 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 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 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 7.58407 5.11205 6.44201 11.3547 12.7784 7.93481 11.0854 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 9.4099 9.73139 5.24906 6.31428 5.11205 6.44201 11.9834 12.7784 7.93481 11.0854 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 9.55426 9.73139 13.1021 6.31428 6.75888 6.44201 11.9834 16.5181 7.93481 11.0854 numMergedOcc 0
9 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 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 7.88312 6.99777 11.7126 9.14376 4.62962 11.889 7.3094 5.72642 9.9928 9.68845 numMergedOcc 0
11 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 numMergedOcc 0
12 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 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 9.87172 7.44174 7.36192 9.38288 11.7228 11.6138 9.15779 15.5802 9.05798 16.3381 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 9.87172 7.44174 7.36192 9.38288 11.7228 11.6138 7.61939 7.99857 5.85818 15.0419 numMergedOcc 0
15 mol 119 unq 4 iso 0 dist 9.87172 7.44174 7.36192 6.19042 6.35763 8.58342 9.15779 15.5802 9.05798 14.5501 numMergedOcc 0
16 mol 119 unq 5 iso 0 dist 9.87172 7.44174 7.36192 6.19042 6.35763 8.58342 7.61939 7.99857 5.85818 9.87025 numMergedOcc 0
17 mol 119 unq 6 iso 0 dist 6.18601 8.43904 10.3457 9.80862 9.35964 4.84196 10.326 14.6439 9.87025 14.4611 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 8.74308 6.76754 6.09983 5.97111 8.33077 6.42785 10.3718 numMergedOcc 0
19 mol 130 unq 1 iso 0 dist 8.70949 6.89257 8.84655 8.74308 6.76754 6.09983 6.97875 10.3572 6.82089 5.38314 numMergedOcc 0
20 mol 130 unq 2 iso 0 dist 8.70949 8.74308 6.76754 6.89257 8.84655 6.09983 6.97875 10.3572 5.38314 6.82089 numMergedOcc 0
21 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 numMergedOcc 0
22 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 numMergedOcc 0
23 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 numMergedOcc 0
24 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 numMergedOcc 0
25 mol 181 unq 4 iso 0 dist 7.81386 7.98142 9.53462 7.37327 11.1462 6.46849 9.92777 14.3453 5.49808 7.96291 numMergedOcc 0
26 mol 181 unq 5 iso 0 dist 7.81386 7.37327 11.1462 7.98142 9.53462 6.46849 9.92777 14.3453 7.96291 5.49808 numMergedOcc 0
27 mol 181 unq 6 iso 0 dist 7.63312 7.98142 9.60512 7.37327 13.3389 6.46849 9.92777 11.6558 5.49808 7.96291 numMergedOcc 0
28 mol 181 unq 7 iso 0 dist 7.63312 7.37327 13.3389 7.98142 9.60512 6.46849 9.92777 11.6558 7.96291 5.49808 numMergedOcc 0
29 mol 197 unq 0 iso 0 dist 8.56633 8.99696 9.82139 7.85058 8.72637 14.5931 15.4462 19.1226 9.71865 22.7056 numMergedOcc 0
30 mol 197 unq 1 iso 0 dist 8.56633 8.99696 9.82139 9.96638 5.69148 8.44549 15.4462 19.1226 9.71865 18.0277 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 8.65997 6.95902 6.43754 9.62609 14.6185 8.55671 7.22396 8.03442 7.1372 10.841 numMergedOcc 0
32 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 numMergedOcc 0
33 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 numMergedOcc 0
34 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 numMergedOcc 0
35 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 numMergedOcc 0
36 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 numMergedOcc 0
37 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 numMergedOcc 0
38 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 numMergedOcc 0
39 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 numMergedOcc 0
40 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 numMergedOcc 0
41 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 numMergedOcc 0
42 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 numMergedOcc 0
43 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 numMergedOcc 0
44 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 numMergedOcc 0
45 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 numMergedOcc 0
46 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 numMergedOcc 0
47 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 numMergedOcc 0
48 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 numMergedOcc 0
49 mol 264 unq 0 iso 0 dist 9.361 9.5784 9.85579 9.0012 9.74238 6.20393 8.45726 13.6446 6.5422 10.2204 numMergedOcc 0
50 mol 264 unq 1 iso 0 dist 6.24356 9.5784 9.67998 9.0012 5.12409 6.20393 8.45726 11.0622 6.5422 10.2204 numMergedOcc 0
51 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 numMergedOcc 0
52 mol 272 unq 1 iso 0 dist 8.46116 6.16449 8.52877 9.09992 5.63139 9.75529 4.86504 8.46061 7.55161 11.7075 numMergedOcc 0
