0 mol 92 unq 0 iso 0 dist 5.74364 9.18898 9.52463 4.52119 4.98104 6.95572 numMergedOcc 0
1 mol 92 unq 1 iso 0 dist 5.74364 7.67331 6.07224 4.52119 4.98104 7.38677 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 9.79844 8.48774 6.14126 11.8455 6.31633 11.8965 numMergedOcc 0
3 mol 109 unq 1 iso 0 dist 9.79844 8.48774 6.14126 15.9176 7.21115 12.241 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 5.28955 8.75431 5.01597 10.7421 9.93703 8.99399 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 9.44788 9.34823 11.5937 12.7349 8.53368 18.5519 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.3243 9.04845 4.7146 13.7612 6.11955 5.87634 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 8.95239 7.94325 4.7146 12.9605 6.11955 5.87634 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 6.23615 6.72323 4.7146 4.64588 6.11955 5.87634 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 6.00651 9.41073 12.6092 10.4619 9.84695 19.5745 numMergedOcc 0
10 mol 147 unq 1 iso 0 dist 6.00651 9.41073 12.6092 6.91778 9.18866 10.3047 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 4.96259 6.95568 5.87168 4.11061 6.00053 6.59025 numMergedOcc 0
12 mol 188 unq 0 iso 0 dist 8.48582 9.99421 9.411 4.04545 9.24118 11.231 numMergedOcc 0
13 mol 188 unq 1 iso 0 dist 8.48582 9.37017 8.98299 4.04545 9.24118 8.10214 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 7.84826 7.40027 7.07515 10.1332 9.5331 15.0233 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 7.56537 8.98598 4.91904 4.57437 8.64255 7.50013 numMergedOcc 0
16 mol 197 unq 2 iso 0 dist 7.56537 7.06689 7.59634 4.57437 8.64255 5.81233 numMergedOcc 0
17 mol 197 unq 3 iso 0 dist 7.56537 9.69601 10.3181 4.57437 8.64255 6.92924 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.09754 5.86419 5.42117 4.78067 8.43584 4.8668 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 8.10096 7.04477 7.93097 5.47434 9.5723 6.11704 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 9.4886 8.63176 8.01004 11.9201 5.81927 10.3917 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 9.4886 8.63176 8.01004 8.27707 6.09782 9.63959 numMergedOcc 0
22 mol 273 unq 0 iso 0 dist 8.78928 6.38341 5.06747 5.75973 8.90885 8.83865 numMergedOcc 0
23 mol 273 unq 1 iso 0 dist 8.78928 6.38341 5.06747 9.40198 9.96963 9.18157 numMergedOcc 0
24 mol 273 unq 2 iso 0 dist 8.78928 9.78826 6.30473 5.75973 8.90885 10.7715 numMergedOcc 0
25 mol 273 unq 3 iso 0 dist 8.78928 9.78826 6.30473 9.40198 9.96963 14.507 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 8.26851 9.11072 16.1916 4.56913 6.00877 12.2077 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 8.26851 6.83113 10.6481 4.56913 6.00877 10.5387 numMergedOcc 0
28 mol 274 unq 2 iso 0 dist 8.26851 9.44134 16.3797 4.56913 6.00877 13.9123 numMergedOcc 0
29 mol 274 unq 3 iso 0 dist 8.14634 9.11072 14.7933 4.56913 8.66451 12.2077 numMergedOcc 0
30 mol 274 unq 4 iso 0 dist 8.14634 6.83113 7.09841 4.56913 8.66451 10.5387 numMergedOcc 0
31 mol 274 unq 5 iso 0 dist 8.14634 9.44134 13.8495 4.56913 8.66451 13.9123 numMergedOcc 0
