0 mol 96 unq 0 iso 0 dist 7.69448 5.82685 5.92032 8.95347 7.3964 5.04559 numMergedOcc 0
1 mol 96 unq 1 iso 0 dist 5.53423 5.3958 5.92032 5.77655 7.3964 5.04559 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 6.98059 9.83687 5.88354 6.41735 6.62972 4.67519 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 6.98059 11.0059 7.89665 6.41735 6.62972 6.6076 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 6.98059 12.2571 5.39354 6.41735 6.62972 10.6513 numMergedOcc 0
5 mol 98 unq 3 iso 0 dist 6.98059 12.0258 5.74854 6.41735 6.62972 10.4027 numMergedOcc 0
6 mol 98 unq 4 iso 0 dist 6.98059 12.8848 8.76566 6.41735 6.62972 12.3568 numMergedOcc 0
7 mol 98 unq 5 iso 0 dist 6.98059 12.3945 8.8368 6.41735 6.62972 14.5457 numMergedOcc 0
8 mol 98 unq 6 iso 0 dist 5.63127 10.6448 5.88354 11.1359 6.62972 4.67519 numMergedOcc 0
9 mol 98 unq 7 iso 0 dist 5.63127 13.4221 7.89665 11.1359 6.62972 6.6076 numMergedOcc 0
10 mol 98 unq 8 iso 0 dist 5.63127 7.96856 5.39354 11.1359 6.62972 10.6513 numMergedOcc 0
11 mol 98 unq 9 iso 0 dist 5.63127 5.58126 5.74854 11.1359 6.62972 10.4027 numMergedOcc 0
12 mol 98 unq 10 iso 0 dist 5.63127 12.7489 8.76566 11.1359 6.62972 12.3568 numMergedOcc 0
13 mol 98 unq 11 iso 0 dist 5.63127 9.77595 8.8368 11.1359 6.62972 14.5457 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 8.56617 4.61737 9.7918 8.10825 7.42482 7.12268 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 9.69341 7.79117 7.99623 4.91693 9.9151 7.45148 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 9.67232 10.2515 8.93905 6.86512 6.03352 8.2619 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 5.10248 8.04019 7.36779 11.4949 9.30061 7.1797 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 5.10248 11.4517 8.20836 11.4949 9.30061 4.57832 numMergedOcc 0
19 mol 154 unq 0 iso 0 dist 6.89591 10.8466 7.72144 6.71173 6.51014 5.27847 numMergedOcc 0
20 mol 158 unq 0 iso 0 dist 8.65878 8.17865 7.88319 5.40642 6.76055 6.4079 numMergedOcc 0
21 mol 158 unq 1 iso 0 dist 8.65878 8.17865 7.88319 10.8689 9.36343 4.25067 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 8.47144 6.66205 8.00506 7.75877 8.21989 9.0783 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 7.13742 4.69605 6.96521 9.37499 7.74683 5.43725 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 8.26119 5.69334 6.26839 11.9617 5.68348 11.6598 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 8.26119 13.2099 8.12346 11.9617 5.68348 12.0887 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 8.26119 16.2258 8.83356 11.9617 5.68348 7.11753 numMergedOcc 0
27 mol 194 unq 4 iso 0 dist 8.26119 13.4175 8.2654 11.9617 5.68348 12.8755 numMergedOcc 0
28 mol 194 unq 5 iso 0 dist 9.10338 13.5654 6.26839 6.96419 5.68348 11.6598 numMergedOcc 0
29 mol 194 unq 6 iso 0 dist 9.10338 10.2888 8.12346 6.96419 5.68348 12.0887 numMergedOcc 0
30 mol 194 unq 7 iso 0 dist 9.10338 11.1617 8.83356 6.96419 5.68348 7.11753 numMergedOcc 0
31 mol 194 unq 8 iso 0 dist 9.10338 13.9257 8.2654 6.96419 5.68348 12.8755 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 7.00964 9.70811 6.85441 4.64654 5.91727 5.86489 numMergedOcc 0
33 mol 204 unq 1 iso 0 dist 9.08318 4.65392 6.85441 5.05475 5.91727 5.86489 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 7.81918 9.6289 6.6561 10.526 8.20162 7.17211 numMergedOcc 0
35 mol 225 unq 1 iso 0 dist 8.92533 13.617 6.6561 13.0081 8.20162 7.17211 numMergedOcc 0
36 mol 225 unq 2 iso 0 dist 7.55355 5.38295 8.87609 6.17371 9.23935 5.76292 numMergedOcc 0
37 mol 225 unq 3 iso 0 dist 7.55355 5.38295 8.87609 5.43186 7.77552 8.21235 numMergedOcc 0
38 mol 230 unq 0 iso 0 dist 7.03084 11.624 6.41286 8.97885 8.34416 6.33877 numMergedOcc 0
39 mol 230 unq 1 iso 0 dist 7.03084 11.624 6.41286 9.17312 6.34832 5.0515 numMergedOcc 0
40 mol 239 unq 0 iso 0 dist 7.96696 4.9585 8.67805 5.99141 5.0804 5.05321 numMergedOcc 0
41 mol 248 unq 0 iso 0 dist 9.68147 9.56932 6.77954 13.4789 7.97135 4.30004 numMergedOcc 0
42 mol 248 unq 1 iso 0 dist 9.61983 5.93796 6.77954 7.0874 7.97135 4.30004 numMergedOcc 0
43 mol 264 unq 0 iso 0 dist 9.84667 9.54944 6.04162 9.08298 7.21655 6.26382 numMergedOcc 0
44 mol 264 unq 1 iso 0 dist 9.84667 12.533 6.14323 9.08298 7.21655 5.24812 numMergedOcc 0
