0 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 10.8828 7.24352 8.34145 17.3252 8.41793 12.7961 9.50614 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 5.07458 7.24352 8.34145 13.8936 8.41793 12.7961 9.50614 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 8.63486 9.2898 15.8558 6.15355 5.07125 11.0852 14.0014 12.931 12.4691 9.47401 numMergedOcc 0
3 mol 130 unq 0 iso 0 dist 8.33077 6.93139 6.76477 7.21225 6.5739 7.5573 10.5849 8.57078 3.69499 9.58633 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 14.2036 8.48313 12.2382 18.1131 11.1905 13.2476 5.78982 numMergedOcc 0
5 mol 134 unq 1 iso 0 dist 8.20836 7.21868 4.935 16.4114 8.48313 12.2382 19.209 11.1905 13.2476 5.78982 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 7.25673 7.36975 9.30534 4.78563 8.612 9.94557 5.40637 6.78032 10.1474 9.29944 numMergedOcc 0
7 mol 178 unq 0 iso 0 dist 4.92088 9.11204 7.79894 6.42973 8.25282 9.32938 9.79683 7.323 5.16452 7.86352 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 9.83476 7.2793 6.38897 13.6744 7.04815 8.39342 14.3269 5.40422 8.40937 5.67168 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 9.83476 7.2793 6.38897 15.0914 6.07389 11.3617 15.3662 6.81727 9.69011 8.36129 numMergedOcc 0
10 mol 186 unq 2 iso 0 dist 9.83476 7.2793 6.38897 15.0914 6.07389 11.3617 14.3269 5.40422 8.40937 5.86483 numMergedOcc 0
11 mol 186 unq 3 iso 0 dist 9.83476 9.51091 8.93258 13.6744 7.04815 10.5048 14.3269 5.40422 9.53326 5.67168 numMergedOcc 0
12 mol 186 unq 4 iso 0 dist 9.83476 9.51091 8.93258 15.0914 6.07389 13.7777 15.3662 6.81727 9.97891 8.36129 numMergedOcc 0
13 mol 186 unq 5 iso 0 dist 9.83476 9.51091 8.93258 15.0914 6.07389 13.7777 14.3269 5.40422 9.53326 5.86483 numMergedOcc 0
14 mol 186 unq 6 iso 0 dist 9.83476 7.85184 11.924 13.6744 7.04815 18.2507 14.3269 5.40422 16.8875 5.67168 numMergedOcc 0
15 mol 186 unq 7 iso 0 dist 9.83476 7.85184 11.924 15.0914 6.07389 17.1125 15.3662 6.81727 16.6335 8.36129 numMergedOcc 0
16 mol 186 unq 8 iso 0 dist 9.83476 7.85184 11.924 15.0914 6.07389 17.1125 14.3269 5.40422 16.8875 5.86483 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 6.60567 7.41662 9.48862 5.41635 6.34234 11.6534 8.9507 10.9712 10.385 8.22795 numMergedOcc 0
18 mol 195 unq 1 iso 0 dist 6.60567 7.41662 9.48862 11.9954 7.87972 16.4813 14.4992 8.68163 16.1194 6.396 numMergedOcc 0
19 mol 195 unq 2 iso 0 dist 7.62942 9.03441 8.89297 6.04871 6.34234 11.3524 12.662 10.9712 12.7795 8.22795 numMergedOcc 0
20 mol 195 unq 3 iso 0 dist 7.62942 9.03441 8.89297 8.04534 7.87972 12.8025 11.8893 8.68163 11.7384 6.396 numMergedOcc 0
21 mol 207 unq 0 iso 0 dist 7.96797 6.0563 7.64813 4.56899 8.78061 9.29133 5.12567 5.47626 6.07936 4.76113 numMergedOcc 0
22 mol 207 unq 1 iso 0 dist 7.96797 8.1244 11.9725 4.56899 8.78061 12.1046 5.12567 5.47626 10.1734 4.76113 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 8.50331 9.3206 5.59363 11.5307 9.14068 13.9166 15.106 8.32937 13.5119 8.93212 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 5.52379 9.07475 6.50998 4.48415 6.53286 11.9473 8.63015 8.5378 13.8133 4.66186 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 5.52379 6.99888 5.63944 4.48415 6.53286 9.51483 8.63015 8.5378 11.1752 4.66186 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 6.04162 9.19754 5.82131 11.4167 7.14086 9.78237 15.803 10.0297 8.39725 9.70101 numMergedOcc 0
27 mol 264 unq 1 iso 0 dist 6.04162 9.19754 5.82131 11.4167 7.14086 9.78237 13.8802 9.58444 5.23295 9.95798 numMergedOcc 0
28 mol 264 unq 2 iso 0 dist 6.14323 8.29262 5.82131 13.2035 7.14086 9.78237 14.4964 10.0297 8.39725 9.70101 numMergedOcc 0
29 mol 264 unq 3 iso 0 dist 6.14323 8.29262 5.82131 13.2035 7.14086 9.78237 13.4196 9.58444 5.23295 9.95798 numMergedOcc 0
