0 mol 15 unq 0 iso 0 dist 6.61158 7.63656 8.21493 8.72187 5.90976 8.38064 8.80394 10.0974 4.39605 7.48342 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.61158 12.2588 7.12903 8.72187 5.90976 9.97507 8.80394 10.0974 12.1303 7.48342 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.05346 4.78943 7.03948 6.36377 6.2983 5.05803 5.96976 11.7521 5.30082 6.93532 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 9.05346 5.48395 5.47769 6.36377 6.2983 6.31718 5.96976 11.7521 10.4366 6.93532 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.57958 4.71849 5.81965 11.0291 6.99832 7.4729 12.656 5.39745 9.50382 6.95572 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 7.57958 4.71849 5.81965 11.0291 6.99832 7.4729 16.9147 10.8154 12.7565 7.38677 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 7.57958 13.6329 9.70512 11.0291 6.99832 6.82344 12.656 5.39745 7.56363 6.95572 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 7.57958 13.6329 9.70512 11.0291 6.99832 6.82344 16.9147 10.8154 5.91004 7.38677 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.95838 5.85391 9.63176 13.3689 10.6679 8.73993 10.8021 11.8717 7.20179 6.52773 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.95838 5.85391 9.63176 13.3689 10.6679 8.73993 15.4251 15.8603 9.89358 9.23858 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 8.95838 11.0075 7.44174 13.2232 7.36192 9.87172 10.8021 11.8717 10.9441 9.11344 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 9.47892 18.2257 9.63176 19.5006 10.6679 8.73993 19.7153 11.8717 7.20179 6.52773 numMergedOcc 0
12 mol 119 unq 4 iso 0 dist 9.47892 18.2257 9.63176 19.5006 10.6679 8.73993 25.312 15.8603 9.89358 9.23858 numMergedOcc 0
13 mol 119 unq 5 iso 0 dist 9.47892 9.93013 7.44174 15.3808 7.36192 9.87172 19.7153 11.8717 10.9441 9.11344 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 9.90096 4.29914 8.6243 6.31125 6.19596 7.12972 11.127 11.4282 8.23791 9.90168 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 9.90096 5.59449 6.91348 6.31125 6.19596 6.85062 11.127 11.4282 13.7237 9.90168 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 7.62575 10.4606 7.51198 10.6076 6.34186 6.43582 8.61147 9.80845 5.50031 7.92304 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 8.45395 9.47799 6.94688 9.86845 6.25083 9.1374 12.0718 9.06217 6.6251 6.2479 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 8.45395 9.47799 6.94688 13.0329 5.86342 5.98885 10.8675 10.3766 5.6044 9.72611 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 8.45395 9.47799 6.94688 13.0329 5.86342 5.98885 12.0718 9.06217 6.6251 7.99195 numMergedOcc 0
20 mol 181 unq 3 iso 0 dist 9.15368 9.09989 6.94688 12.5284 6.25083 9.1374 13.7282 9.06217 6.6251 6.2479 numMergedOcc 0
21 mol 181 unq 4 iso 0 dist 9.15368 9.09989 6.94688 12.9014 5.86342 5.98885 8.30103 10.3766 5.6044 9.72611 numMergedOcc 0
22 mol 181 unq 5 iso 0 dist 9.15368 9.09989 6.94688 12.9014 5.86342 5.98885 13.7282 9.06217 6.6251 7.99195 numMergedOcc 0
23 mol 181 unq 6 iso 0 dist 9.20477 4.98009 6.94688 12.0593 6.25083 9.1374 10.6331 9.06217 6.6251 6.2479 numMergedOcc 0
24 mol 181 unq 7 iso 0 dist 9.20477 4.98009 6.94688 10.3248 5.86342 5.98885 3.90972 10.3766 5.6044 9.72611 numMergedOcc 0
25 mol 181 unq 8 iso 0 dist 9.20477 4.98009 6.94688 10.3248 5.86342 5.98885 10.6331 9.06217 6.6251 7.99195 numMergedOcc 0
26 mol 181 unq 9 iso 0 dist 5.41368 9.47799 6.71012 9.86845 4.77278 9.1374 12.0718 7.13252 6.6251 6.2479 numMergedOcc 0
27 mol 181 unq 10 iso 0 dist 5.41368 9.47799 6.71012 13.0329 9.14057 5.98885 10.8675 10.7723 5.6044 9.72611 numMergedOcc 0
28 mol 181 unq 11 iso 0 dist 5.41368 9.47799 6.71012 13.0329 9.14057 5.98885 12.0718 7.13252 6.6251 7.99195 numMergedOcc 0
29 mol 181 unq 12 iso 0 dist 7.96182 9.09989 6.71012 12.5284 4.77278 9.1374 13.7282 7.13252 6.6251 6.2479 numMergedOcc 0
30 mol 181 unq 13 iso 0 dist 7.96182 9.09989 6.71012 12.9014 9.14057 5.98885 8.30103 10.7723 5.6044 9.72611 numMergedOcc 0
31 mol 181 unq 14 iso 0 dist 7.96182 9.09989 6.71012 12.9014 9.14057 5.98885 13.7282 7.13252 6.6251 7.99195 numMergedOcc 0
32 mol 181 unq 15 iso 0 dist 7.90237 4.98009 6.71012 12.0593 4.77278 9.1374 10.6331 7.13252 6.6251 6.2479 numMergedOcc 0
33 mol 181 unq 16 iso 0 dist 7.90237 4.98009 6.71012 10.3248 9.14057 5.98885 3.90972 10.7723 5.6044 9.72611 numMergedOcc 0
34 mol 181 unq 17 iso 0 dist 7.90237 4.98009 6.71012 10.3248 9.14057 5.98885 10.6331 7.13252 6.6251 7.99195 numMergedOcc 0
35 mol 181 unq 18 iso 0 dist 9.70025 6.20895 7.37327 13.8362 11.1462 7.81386 10.0531 14.5372 7.20191 9.39829 numMergedOcc 0
36 mol 181 unq 19 iso 0 dist 9.70025 6.20895 7.37327 10.0354 13.3389 7.63312 6.02828 8.9289 5.63555 5.9176 numMergedOcc 0
37 mol 181 unq 20 iso 0 dist 9.70025 6.20895 7.37327 10.0354 13.3389 7.63312 10.0531 14.5372 7.20191 6.41453 numMergedOcc 0
38 mol 181 unq 21 iso 0 dist 6.17129 4.3158 4.93785 9.84952 6.7991 7.81386 6.78739 7.05653 7.77758 5.94469 numMergedOcc 0
39 mol 181 unq 22 iso 0 dist 5.83596 4.3226 4.93785 10.8641 6.7991 7.81386 11.3693 7.05653 7.77758 5.94469 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 8.42382 7.2593 9.62609 15 14.6185 8.65997 16.9533 19.0662 10.204 7.43071 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 8.42382 7.2593 9.62609 15 14.6185 8.65997 13.7831 14.0608 9.72615 5.41321 numMergedOcc 0
42 mol 235 unq 0 iso 0 dist 8.19915 6.84447 8.21247 9.11256 4.65302 5.4638 3.93066 7.95766 7.60081 9.55668 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 12.348 11.6195 7.88519 11.7116 8.71497 8.81835 7.98231 numMergedOcc 0
44 mol 259 unq 1 iso 0 dist 9.53092 4.77548 7.48005 11.6963 5.79468 7.46176 11.7116 8.71497 8.81835 7.08526 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 8.44015 11.2529 9.0012 10.7818 5.12409 6.24356 5.29885 5.91213 7.52936 5.93616 numMergedOcc 0
46 mol 264 unq 1 iso 0 dist 6.21206 11.2529 9.5784 10.7818 9.67998 6.24356 5.29885 7.34094 7.52936 5.93616 numMergedOcc 0
47 mol 282 unq 0 iso 0 dist 9.20119 12.5533 6.85028 15.5242 6.3384 8.04483 17.5719 11.0343 5.65568 9.0975 numMergedOcc 0
48 mol 282 unq 1 iso 0 dist 9.20119 14.3567 7.32347 15.5242 6.3384 6.33524 17.5719 11.0343 5.0324 9.0975 numMergedOcc 0
49 mol 282 unq 2 iso 0 dist 8.96997 4.64783 6.85028 11.3408 6.3384 8.04483 9.44529 11.0343 5.65568 9.0975 numMergedOcc 0
50 mol 282 unq 3 iso 0 dist 8.96997 10.0286 7.32347 11.3408 6.3384 6.33524 9.44529 11.0343 5.0324 9.0975 numMergedOcc 0
