0 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 14.4535 10.0952 6.86014 10.9853 5.97304 6.60423 6.00575 10.4056 5.11636 7.95042 5.69214 4.47891 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.88413 5.59268 7.17969 10.5993 4.33106 7.57578 5.97432 10.1525 6.90155 9.36158 8.27137 11.4148 4.79873 10.2864 6.86525 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.88413 5.59268 7.17969 10.5993 4.33106 7.57578 5.97432 10.1525 6.90155 9.36158 13.4236 5.68041 9.48085 5.18617 13.7717 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 9.87281 6.17631 7.31767 7.63928 4.51512 6.03987 5.97432 7.63409 5.81959 8.4666 12.3312 6.10919 7.6114 5.86705 11.4877 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 7.63928 6.17631 6.03987 9.87281 4.51512 7.31767 5.97432 8.4666 5.81959 7.63409 12.3312 5.86705 7.6114 6.10919 11.4877 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.38387 11.8286 6.20293 13.3732 5.06502 5.73819 16.6874 9.06158 8.60739 5.64171 12.266 5.41726 6.75943 4.96926 4.55347 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 12.9363 6.45462 8.93915 16.6874 9.06158 8.60739 11.3891 12.266 5.41726 6.75943 10.0383 4.55347 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 7.19021 9.0702 7.2846 14.4598 8.81358 7.58835 6.15568 5.73693 9.44459 11.6164 13.4674 6.42339 9.33906 5.1274 10.7651 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 7.7978 6.8958 7.17396 10.3954 6.05545 9.21998 15.0717 11.0904 8.64015 12.9211 11.5355 7.31539 6.56212 11.1607 4.88345 numMergedOcc 0
9 mol 59 unq 1 iso 0 dist 9.55751 5.85228 7.17396 10.7234 6.05545 9.21998 14.4867 11.0904 8.64015 12.9211 11.9689 7.31539 6.56212 11.1607 4.88345 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 14.0784 10.8507 5.83991 11.9843 5.61704 5.72642 6.4497 15.2429 10.3209 7.69765 4.48636 7.27912 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 9.35868 8.25001 7.30858 14.0784 10.8507 5.83991 11.9843 5.61704 5.72642 6.4497 16.2777 15.3161 9.42082 6.63111 10.5109 numMergedOcc 0
12 mol 115 unq 2 iso 0 dist 9.35868 8.25001 7.30858 13.3494 11.5723 7.88312 11.9843 5.61704 5.72642 7.3094 15.2429 10.3209 7.69765 11.835 7.27912 numMergedOcc 0
13 mol 115 unq 3 iso 0 dist 9.35868 8.25001 7.30858 13.3494 11.5723 7.88312 11.9843 5.61704 5.72642 7.3094 16.2777 15.3161 9.42082 6.07067 10.5109 numMergedOcc 0
14 mol 115 unq 4 iso 0 dist 4.98864 10.9437 7.88312 14.1021 11.5723 7.30858 11.2871 7.3094 5.72642 5.61704 16.4805 11.835 7.69765 10.3209 7.27912 numMergedOcc 0
15 mol 115 unq 5 iso 0 dist 4.98864 10.9437 7.88312 14.1021 11.5723 7.30858 11.2871 7.3094 5.72642 5.61704 9.47795 6.07067 9.42082 15.3161 10.5109 numMergedOcc 0
16 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 12.6493 8.02349 5.83991 11.2871 7.3094 5.72642 6.4497 16.4805 11.835 7.69765 4.48636 7.27912 numMergedOcc 0
17 mol 115 unq 7 iso 0 dist 4.98864 10.9437 7.88312 12.6493 8.02349 5.83991 11.2871 7.3094 5.72642 6.4497 9.47795 6.07067 9.42082 6.63111 10.5109 numMergedOcc 0
18 mol 115 unq 8 iso 0 dist 7.95871 12.0354 7.88312 17.0624 11.5723 7.30858 14.361 7.3094 5.72642 5.61704 17.9091 11.835 7.69765 10.3209 7.27912 numMergedOcc 0
19 mol 115 unq 9 iso 0 dist 7.95871 12.0354 7.88312 17.0624 11.5723 7.30858 14.361 7.3094 5.72642 5.61704 9.29473 6.07067 9.42082 15.3161 10.5109 numMergedOcc 0
20 mol 115 unq 10 iso 0 dist 7.95871 12.0354 7.88312 13.7044 8.02349 5.83991 14.361 7.3094 5.72642 6.4497 17.9091 11.835 7.69765 4.48636 7.27912 numMergedOcc 0
21 mol 115 unq 11 iso 0 dist 7.95871 12.0354 7.88312 13.7044 8.02349 5.83991 14.361 7.3094 5.72642 6.4497 9.29473 6.07067 9.42082 6.63111 10.5109 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 8.07256 11.1874 6.70283 13.1529 5.42328 5.87555 16.5342 9.35627 8.28642 5.70788 12.0918 5.39112 6.70693 4.94983 4.71678 numMergedOcc 0
23 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 12.6103 6.4896 8.67331 16.5342 9.35627 8.28642 11.2078 12.0918 5.39112 6.70693 9.67475 4.71678 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 11.3366 4.39704 7.22101 18.2547 12.9587 8.38865 11.0628 13.0848 5.83175 5.23634 5.0317 7.3164 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 9.89665 11.247 7.68742 11.3361 5.79505 9.81562 16.2625 9.05842 8.50331 7.22918 13.747 4.89609 9.3206 4.27181 5.59363 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 9.89665 11.247 7.68742 14.0991 11.3368 6.27581 16.2625 9.05842 8.50331 7.00028 13.747 4.89609 9.3206 10.5774 5.59363 numMergedOcc 0
27 mol 236 unq 2 iso 0 dist 5.66569 4.15973 6.27581 12.3675 9.90963 9.81562 8.38439 7.00028 8.50331 7.22918 11.2893 10.5774 9.3206 4.27181 5.59363 numMergedOcc 0
28 mol 236 unq 3 iso 0 dist 5.66569 4.15973 6.27581 11.0771 11.3368 7.68742 8.38439 7.00028 8.50331 9.05842 11.2893 10.5774 9.3206 4.89609 5.59363 numMergedOcc 0
29 mol 236 unq 4 iso 0 dist 6.11137 9.01197 6.27581 14.8917 9.90963 9.81562 9.30828 7.00028 8.50331 7.22918 14.0625 10.5774 9.3206 4.27181 5.59363 numMergedOcc 0
30 mol 236 unq 5 iso 0 dist 6.11137 9.01197 6.27581 15.2525 11.3368 7.68742 9.30828 7.00028 8.50331 9.05842 14.0625 10.5774 9.3206 4.89609 5.59363 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 9.66555 12.2428 6.22714 11.6545 5.34096 7.31233 15.1827 10.216 5.64181 7.83352 12.6412 12.7938 9.08509 11.0772 6.94907 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 8.67205 8.66185 6.22714 11.1363 5.34096 7.31233 12.1317 10.216 5.64181 7.83352 9.72795 12.7938 9.08509 11.0772 6.94907 numMergedOcc 0
