0 mol 28 unq 0 iso 0 dist 8.43134 8.76563 6.75443 8.95378 8.85208 13.1749 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.43134 8.76563 6.75443 5.44389 9.04974 9.39491 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.43134 15.1628 9.02508 8.95378 8.85208 17.8219 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.43134 15.1628 9.02508 5.44389 9.04974 13.3085 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 8.43134 13.148 8.44081 8.95378 8.85208 15.7682 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 8.43134 13.148 8.44081 5.44389 9.04974 9.64016 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 5.64864 5.75907 9.49156 14.4284 9.46633 15.6461 numMergedOcc 0
7 mol 55 unq 1 iso 0 dist 4.74307 7.61589 9.49156 8.95606 9.46633 15.6461 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 7.7946 9.64715 3.90209 13.0952 7.40481 10.386 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 6.9898 4.9015 7.4348 5.29804 9.907 10.1932 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 8.84518 8.35617 6.13054 4.64863 6.71787 4.88005 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 5.97162 8.48271 6.03801 6.43666 8.39237 8.24186 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 8.33084 5.27013 7.96459 7.65137 8.1637 11.538 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 8.32373 5.32036 5.24705 11.7954 5.8391 7.8719 numMergedOcc 0
14 mol 228 unq 0 iso 0 dist 7.4244 5.91773 9.87391 5.32006 8.27678 10.3267 numMergedOcc 0
15 mol 228 unq 1 iso 0 dist 7.4244 12.1514 9.72673 5.32006 8.27678 9.46822 numMergedOcc 0
16 mol 228 unq 2 iso 0 dist 7.40089 4.06247 9.94292 6.37753 8.26664 9.40554 numMergedOcc 0
17 mol 228 unq 3 iso 0 dist 7.40089 9.94066 9.53671 6.37753 8.26664 10.3434 numMergedOcc 0
18 mol 228 unq 4 iso 0 dist 8.21976 4.06247 8.5499 6.37753 9.33596 9.40554 numMergedOcc 0
19 mol 228 unq 5 iso 0 dist 7.19441 12.1987 9.94292 5.25888 8.26664 9.40554 numMergedOcc 0
20 mol 228 unq 6 iso 0 dist 7.19441 6.03337 9.53671 5.25888 8.26664 10.3434 numMergedOcc 0
21 mol 228 unq 7 iso 0 dist 7.21082 9.54164 9.87391 6.25447 8.27678 10.3267 numMergedOcc 0
22 mol 228 unq 8 iso 0 dist 7.21082 4.36704 9.72673 6.25447 8.27678 9.46822 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 8.41696 8.43137 8.90779 11.0835 6.77411 6.20372 numMergedOcc 0
24 mol 271 unq 0 iso 0 dist 6.67008 5.22029 7.88092 10.5129 8.56431 10.0049 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 7.1839 4.99483 8.85233 5.57013 9.21126 8.16859 numMergedOcc 0
26 mol 292 unq 1 iso 0 dist 7.1839 7.14449 7.06322 5.57013 9.21126 5.82472 numMergedOcc 0
