0 mol 59 unq 0 iso 0 dist 8.61357 4.90216 9.95453 12.0007 9.05547 12.3441 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 8.61357 9.84217 5.6003 12.0007 9.05547 14.3191 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.34804 8.4702 8.43533 16.4344 8.64208 14.1749 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 8.34804 8.4702 8.43533 11.9474 7.9572 12.4147 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.73908 5.57551 5.08181 13.4703 9.7754 13.4733 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 8.58317 8.94636 6.18261 4.70935 7.73139 11.0803 numMergedOcc 0
6 mol 127 unq 1 iso 0 dist 5.52891 8.94636 3.75302 4.02121 6.65963 10.2978 numMergedOcc 0
7 mol 127 unq 2 iso 0 dist 5.52891 8.94636 3.75302 4.70935 8.62711 11.0803 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 5.28423 9.28062 7.01747 5.01633 8.44823 9.08563 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 6.89529 9.37245 4.09125 4.12904 6.56115 8.16252 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 9.65404 8.95296 8.2701 6.32863 7.83781 5.36671 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 5.33103 9.49242 13.5812 3.84723 6.53736 11.1783 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 5.33103 9.25184 10.061 3.84723 6.53736 6.85824 numMergedOcc 0
13 mol 210 unq 2 iso 0 dist 9.01301 9.49242 12.9549 3.84723 8.18851 11.1783 numMergedOcc 0
14 mol 210 unq 3 iso 0 dist 9.01301 9.25184 5.11839 3.84723 8.18851 6.85824 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 8.72578 8.99517 12.1223 6.20364 5.10683 13.0214 numMergedOcc 0
16 mol 247 unq 0 iso 0 dist 8.21164 4.78189 6.27547 14.6138 7.29178 12.4431 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 9.17911 6.61322 13.3447 9.07364 9.67877 8.03012 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 9.17911 6.61322 13.3447 17.1229 8.81059 21.9974 numMergedOcc 0
19 mol 258 unq 2 iso 0 dist 9.17911 6.61322 13.3447 15.539 9.12006 21.338 numMergedOcc 0
20 mol 258 unq 3 iso 0 dist 9.46746 8.77675 9.00563 9.05496 8.55181 12.5024 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 6.70414 5.11998 5.11865 14.2115 9.84188 9.54359 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 6.70414 5.11998 5.11865 10.8075 8.35794 5.69112 numMergedOcc 0
23 mol 277 unq 2 iso 0 dist 6.70414 5.79925 8.46455 14.2115 9.84188 11.0997 numMergedOcc 0
24 mol 277 unq 3 iso 0 dist 6.70414 5.79925 8.46455 10.8075 8.35794 7.2091 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 6.90956 9.1471 6.33641 5.25853 7.30618 9.18744 numMergedOcc 0
26 mol 287 unq 1 iso 0 dist 6.90956 7.84189 12.0298 5.25853 7.30618 10.1296 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 6.90956 9.1471 6.33641 5.25853 7.30618 9.18744 numMergedOcc 0
28 mol 288 unq 1 iso 0 dist 6.90956 7.84189 12.0298 5.25853 7.30618 10.1296 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 6.90956 9.1471 6.33641 5.25853 7.30618 9.18744 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 6.90956 7.84189 12.0298 5.25853 7.30618 10.1296 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 5.71656 7.48987 5.13965 5.57606 8.52208 7.56669 numMergedOcc 0
32 mol 294 unq 1 iso 0 dist 5.71656 8.35637 7.32602 5.57606 8.52208 13.4324 numMergedOcc 0
