0 mol 2 unq 0 iso 0 dist 5.5745 4.00237 6.90295 9.39095 6.81721 7.2721 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 5.95165 9.80646 6.84216 14.1019 11.0597 6.83186 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 5.7435 8.98102 6.58046 13.4066 10.7048 6.83186 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 9.77553 12.4324 9.45756 14.8453 9.26597 3.77542 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 9.77553 12.4324 9.45756 12.7034 4.60014 9.97314 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.58793 12.1387 8.04242 14.0035 8.37717 4.18248 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.9747 4.48773 7.92856 9.68556 13.6536 6.5816 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 4.50572 3.8493 7.92856 9.23905 13.6536 6.5816 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.35636 3.98588 8.11702 7.39028 4.56372 9.29327 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 8.89481 5.96967 7.02367 9.86767 13.0914 7.02358 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 8.89481 7.52951 9.30832 14.4081 10.2689 9.14336 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 7.04864 4.74539 6.42623 11.0505 5.61274 7.84207 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 7.04864 4.74539 6.42623 8.03124 3.35803 6.98791 numMergedOcc 0
13 mol 120 unq 2 iso 0 dist 7.04864 11.4443 8.95899 11.0505 5.61274 8.56947 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 6.78949 6.80573 4.42563 12.9454 6.34716 8.565 numMergedOcc 0
15 mol 122 unq 1 iso 0 dist 9.40018 12.9961 4.42563 13.6426 6.34716 8.565 numMergedOcc 0
16 mol 123 unq 0 iso 0 dist 8.67193 12.0363 8.111 17.5341 12.2105 5.56127 numMergedOcc 0
17 mol 123 unq 1 iso 0 dist 8.67193 12.0363 8.111 13.4724 12.5368 8.03692 numMergedOcc 0
18 mol 123 unq 2 iso 0 dist 8.67193 12.0363 8.111 12.2647 6.21159 5.36214 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 8.30654 9.81306 8.99891 10.5624 6.75249 4.3855 numMergedOcc 0
20 mol 199 unq 0 iso 0 dist 8.30443 3.78464 8.72831 11.8492 9.00996 9.64363 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 9.36079 12.9317 4.51255 11.8579 4.46135 6.80296 numMergedOcc 0
22 mol 206 unq 1 iso 0 dist 7.42904 10.8126 4.51255 10.9003 4.46135 6.80296 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 9.86371 6.9328 8.40074 12.2511 8.68462 9.54529 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 9.13552 3.90226 8.40074 11.5517 8.68462 9.54529 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 6.44212 3.71488 4.43499 5.17335 4.61469 6.09626 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 8.91612 13.0515 9.27311 12.0075 5.10494 8.66299 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 7.67598 8.46364 4.80903 13.3942 6.73995 5.58222 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 8.96343 7.9169 7.42932 13.7358 14.2348 7.98956 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 9.29635 7.31817 4.9764 5.11998 7.75371 7.98956 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 9.29635 3.91224 6.36559 5.11998 7.75371 5.86185 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 9.20416 7.30677 4.49592 15.2035 7.22011 8.07775 numMergedOcc 0
32 mol 292 unq 1 iso 0 dist 7.53641 5.33412 4.49592 9.01115 7.22011 8.07775 numMergedOcc 0
