0 mol 15 unq 0 iso 0 dist 8.37378 6.78983 5.89412 4.64441 6.23015 6.91314 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 8.37378 9.50843 7.07399 4.64441 6.23015 5.49251 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 5.99176 7.11047 6.85556 4.4386 6.29797 5.86705 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 6.98583 10.7715 6.85556 5.82028 6.29797 5.86705 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 9.7113 11.462 7.58957 6.31483 6.34626 6.28232 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 5.66405 13.0477 9.97343 3.60945 6.65731 13.4066 numMergedOcc 0
6 mol 141 unq 1 iso 0 dist 5.66405 6.64386 9.70413 3.60945 6.65731 8.54432 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 8.29782 4.97028 6.64834 13.7415 9.34834 8.99935 numMergedOcc 0
8 mol 171 unq 1 iso 0 dist 8.29782 4.97028 6.64834 10.2105 5.74846 7.15048 numMergedOcc 0
9 mol 171 unq 2 iso 0 dist 8.29782 7.69281 5.93786 13.7415 9.34834 9.35703 numMergedOcc 0
10 mol 171 unq 3 iso 0 dist 8.29782 7.69281 5.93786 10.2105 5.74846 9.14311 numMergedOcc 0
11 mol 171 unq 4 iso 0 dist 8.29782 12.3639 8.24693 13.7415 9.34834 14.4375 numMergedOcc 0
12 mol 171 unq 5 iso 0 dist 8.29782 12.3639 8.24693 10.2105 5.74846 13.6262 numMergedOcc 0
13 mol 171 unq 6 iso 0 dist 8.29782 9.82561 7.36698 13.7415 9.34834 4.66982 numMergedOcc 0
14 mol 171 unq 7 iso 0 dist 8.29782 9.82561 7.36698 10.2105 5.74846 3.65288 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 8.90567 5.4328 6.59025 4.6383 9.88897 6.28125 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 9.2933 5.32364 5.9176 15.7604 8.12266 10.6474 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 9.2933 5.32364 5.9176 9.35605 9.43306 5.12833 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 9.2933 5.32364 5.9176 5.66304 8.59681 4.61184 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 7.08557 5.38569 5.94469 6.36032 8.06308 5.42158 numMergedOcc 0
20 mol 181 unq 5 iso 0 dist 8.77781 13.9725 9.39829 9.76508 5.99437 5.71898 numMergedOcc 0
21 mol 181 unq 6 iso 0 dist 8.77781 13.9725 9.39829 9.35605 8.4848 5.83796 numMergedOcc 0
22 mol 181 unq 7 iso 0 dist 8.77781 5.32364 6.41453 9.76508 5.99437 5.93724 numMergedOcc 0
23 mol 181 unq 8 iso 0 dist 8.77781 5.32364 6.41453 9.35605 8.4848 5.12833 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 7.59757 10.2677 7.32294 14.13 9.48625 5.57347 numMergedOcc 0
25 mol 229 unq 0 iso 0 dist 8.70049 8.43758 8.66332 11.4693 9.37336 5.70473 numMergedOcc 0
26 mol 229 unq 1 iso 0 dist 9.55385 5.88282 8.66332 11.1131 9.37336 5.70473 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 9.16554 4.77695 8.83865 5.53908 7.85836 4.24707 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 9.16554 4.77695 8.83865 8.8839 6.35532 8.56043 numMergedOcc 0
29 mol 273 unq 2 iso 0 dist 9.16554 10.3543 9.18157 5.53908 7.85836 6.65672 numMergedOcc 0
30 mol 273 unq 3 iso 0 dist 9.16554 10.3543 9.18157 8.8839 6.35532 8.81454 numMergedOcc 0
31 mol 273 unq 4 iso 0 dist 9.65597 15.0014 8.83865 11.7146 7.85836 4.24707 numMergedOcc 0
32 mol 273 unq 5 iso 0 dist 9.65597 15.0014 8.83865 7.90253 6.35532 8.56043 numMergedOcc 0
33 mol 273 unq 6 iso 0 dist 9.65597 16.3813 9.18157 11.7146 7.85836 6.65672 numMergedOcc 0
34 mol 273 unq 7 iso 0 dist 9.65597 16.3813 9.18157 7.90253 6.35532 8.81454 numMergedOcc 0
35 mol 292 unq 0 iso 0 dist 9.5144 15.5391 9.88863 16.7232 8.6233 5.94 numMergedOcc 0
