0 mol 11 unq 0 iso 0 dist 9.04534 9.26728 6.83186 14.2512 11.0597 6.84216 15.8246 14.9214 9.68636 4.61088 numMergedOcc 0
1 mol 78 unq 0 iso 0 dist 6.73466 5.83035 8.61143 11.351 9.6123 8.97888 9.299 10.1937 3.68023 7.9245 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.86038 7.41484 4.18248 11.847 5.76272 9.01812 5.8457 8.04242 8.37717 7.95579 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.68556 4.48773 6.5816 5.9747 13.6536 7.92856 4.75138 14.3025 8.29813 5.08437 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.68556 4.48773 6.5816 5.9747 13.6536 7.92856 10.4417 17.4636 13.2057 6.48948 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 9.68556 4.48773 6.5816 5.9747 13.6536 7.92856 11.3628 18.9347 12.7473 6.10456 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 8.73928 3.78499 6.5816 9.27497 13.6536 7.92856 7.40356 14.3025 8.29813 5.08437 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 8.73928 3.78499 6.5816 9.27497 13.6536 7.92856 14.8125 17.4636 13.2057 6.48948 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 8.73928 3.78499 6.5816 9.27497 13.6536 7.92856 13.4119 18.9347 12.7473 6.10456 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 9.86767 5.96967 7.02358 8.89481 13.0914 7.02367 4.36935 9.59585 5.37655 5.86073 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 7.08403 3.77247 7.02358 10.783 5.37655 9.59585 14.0364 7.02367 13.0914 5.86073 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 8.03124 4.74539 6.98791 7.04864 3.35803 6.42623 4.5543 10.8176 5.6295 8.75408 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 8.03124 4.74539 6.98791 7.04864 3.35803 6.42623 6.81949 8.38358 3.824 6.44653 numMergedOcc 0
13 mol 120 unq 2 iso 0 dist 9.58434 3.71884 9.31385 11.2107 9.4846 8.38358 5.89379 10.2878 3.35803 6.44653 numMergedOcc 0
14 mol 120 unq 3 iso 0 dist 9.16089 8.9188 7.84207 11.2107 3.824 7.53694 5.89379 6.42623 5.61274 6.44653 numMergedOcc 0
15 mol 120 unq 4 iso 0 dist 9.16089 3.71884 6.98791 11.2107 3.824 8.38358 5.89379 6.42623 3.35803 6.44653 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 7.33643 3.89732 6.96715 11.0485 5.38859 9.37946 18.7623 11.7009 17.056 8.49164 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 5.17335 3.71488 6.09626 6.44212 4.61469 4.43499 7.97883 9.68695 4.32238 6.16342 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 8.72101 14.313 7.98956 14.3441 7.75371 4.9764 6.76786 5.69112 11.8607 9.7748 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 8.72101 13.2017 5.86185 14.3441 7.75371 6.36559 6.76786 5.69112 10.9137 9.7748 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 5.11998 7.31817 7.98956 9.29635 7.75371 4.9764 10.8075 5.69112 11.8607 9.7748 numMergedOcc 0
21 mol 277 unq 3 iso 0 dist 5.11998 3.91224 5.86185 9.29635 7.75371 6.36559 10.8075 5.69112 10.9137 9.7748 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 8.85506 12.2 8.07775 12.9938 7.22011 4.49592 18.0757 13.0682 5.99797 8.2734 numMergedOcc 0
