0 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 10.6501 8.79272 7.12263 16.8935 14.1378 8.77457 7.35217 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 4.92734 9.91124 7.3915 10.6477 6.32152 5.00267 16.8935 14.1378 8.77457 11.1833 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.16444 6.84888 7.05346 11.4391 6.119 5.55437 10.26 8.50424 8.076 7.28672 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 6.44408 6.00386 5.78148 14.5084 10.9884 9.10587 5.99004 4.56335 7.98679 15.0583 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 7.00285 10.8678 5.88354 15.5041 10.7735 7.63183 6.04768 4.67519 6.62972 9.50457 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 8.02354 13.5865 5.88354 18.0219 10.7735 7.63183 9.40173 4.67519 6.62972 9.50457 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 9.00692 9.70366 8.8368 9.45186 8.01486 7.63183 13.9717 14.5457 6.62972 9.50457 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 6.26542 7.63357 8.8368 8.6964 8.01486 7.63183 13.1306 14.5457 6.62972 9.50457 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.88255 6.89245 7.77116 10.4602 4.91132 8.03035 14.0057 7.20179 8.8562 6.96805 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.88255 6.89245 7.77116 10.4602 4.91132 8.03035 8.61574 9.89358 7.91683 13.3975 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 8.88255 6.89245 7.77116 11.794 6.08167 7.6968 14.0057 7.20179 8.8562 4.86811 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 8.88255 6.89245 7.77116 11.794 6.08167 7.6968 8.61574 9.89358 7.91683 8.00229 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.99949 14.8405 9.29384 22.1491 15.7796 7.76594 19.8362 13.1439 5.44303 5.67023 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 8.99949 14.8405 9.29384 22.1491 15.7796 7.76594 20.1653 13.7237 8.50562 10.9757 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 7.34465 7.97183 6.69515 14.8886 9.76015 8.26172 12.3922 10.1386 4.46777 6.52248 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 7.34465 7.97183 6.69515 14.8886 9.76015 8.26172 13.2114 7.42649 6.94988 4.98952 numMergedOcc 0
16 mol 141 unq 2 iso 0 dist 9.47675 7.97183 7.86572 14.8886 8.24418 8.26172 12.3922 10.1432 4.46777 6.52248 numMergedOcc 0
17 mol 141 unq 3 iso 0 dist 9.47675 7.97183 7.86572 14.8886 8.24418 8.26172 13.2114 9.43674 6.94988 4.98952 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 4.851 11.3699 9.20961 9.27651 8.94041 8.93185 14.8197 10.9043 8.3087 9.99277 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.21585 12.2193 7.99477 12.9634 5.27959 6.47194 20.2408 13.2927 9.91199 8.09074 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 6.8902 5.86656 6.14323 11.5801 9.37297 5.74568 6.12402 5.24812 7.21655 11.5512 numMergedOcc 0
