0 mol 0 unq 0 iso 0 dist 8.82108 7.55723 5.13216 4.53161 9.95129 6.44948 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.90148 7.55723 5.16658 4.53161 9.5042 6.44948 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 4.88114 6.66589 7.86036 4.70233 6.45344 9.71908 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 8.14952 5.83658 4.92824 13.9246 7.7393 8.23909 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 8.14952 5.83658 4.92824 6.08819 10.1037 6.72215 numMergedOcc 0
5 mol 14 unq 0 iso 0 dist 7.66311 8.91266 7.00835 7.67076 7.54797 8.73627 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 7.00677 6.09782 5.29727 8.65318 8.42643 5.38191 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 9.86958 9.99634 10.8691 10.8964 12.8189 6.6003 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 7.19203 7.14865 9.51008 7.24375 13.6728 9.93344 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 8.36667 8.24121 14.9981 7.48749 15.3542 9.74996 numMergedOcc 0
10 mol 69 unq 1 iso 0 dist 8.36667 8.52371 13.689 7.48749 15.3542 8.21667 numMergedOcc 0
11 mol 87 unq 0 iso 0 dist 9.10245 5.26938 5.39287 3.66319 11.3977 8.50159 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 8.63522 7.48277 10.8684 5.51997 13.7049 9.43411 numMergedOcc 0
13 mol 102 unq 1 iso 0 dist 8.63522 9.0361 10.2218 11.7098 17.616 9.01767 numMergedOcc 0
14 mol 102 unq 2 iso 0 dist 8.63522 9.0361 10.2218 5.51997 13.7049 9.80678 numMergedOcc 0
15 mol 102 unq 3 iso 0 dist 5.43401 7.48277 9.76734 5.51997 10.1221 9.43411 numMergedOcc 0
16 mol 102 unq 4 iso 0 dist 5.43401 9.0361 8.17186 11.7098 14.2643 9.01767 numMergedOcc 0
17 mol 102 unq 5 iso 0 dist 5.43401 9.0361 8.17186 5.51997 10.1221 9.80678 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 9.42175 5.81552 9.60908 5.16543 13.8231 6.85381 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 9.6874 5.97879 8.15877 4.45081 14.0674 8.64783 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 7.67341 8.93552 11.909 11.6665 17.2805 6.86946 numMergedOcc 0
21 mol 127 unq 0 iso 0 dist 8.98151 8.62711 6.75619 15.8417 13.0317 8.40046 numMergedOcc 0
22 mol 140 unq 0 iso 0 dist 9.92335 5.44596 4.83408 8.91817 13.6724 9.93572 numMergedOcc 0
23 mol 162 unq 0 iso 0 dist 8.98459 9.89142 6.89489 9.75316 13.3005 9.82249 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 15.8912 9.58724 7.31105 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 7.35148 7.30244 10.48 11.8854 16.9395 8.48112 numMergedOcc 0
26 mol 223 unq 0 iso 0 dist 9.29204 7.34316 8.16187 6.5658 10.9317 7.82697 numMergedOcc 0
27 mol 223 unq 1 iso 0 dist 9.14789 7.34316 11.2364 6.5658 11.6333 7.82697 numMergedOcc 0
28 mol 223 unq 2 iso 0 dist 7.80764 7.34316 11.4951 6.5658 12.3717 7.82697 numMergedOcc 0
29 mol 223 unq 3 iso 0 dist 5.75896 7.34316 5.18719 6.5658 7.22882 7.82697 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 7.62593 4.79841 5.41021 6.4556 5.90784 6.56437 numMergedOcc 0
31 mol 224 unq 1 iso 0 dist 7.62593 4.79841 5.41021 5.66462 9.97504 6.23882 numMergedOcc 0
32 mol 224 unq 2 iso 0 dist 7.62593 4.79841 5.41021 7.70922 8.50322 9.53131 numMergedOcc 0
33 mol 224 unq 3 iso 0 dist 7.62593 4.79841 5.41021 9.46589 11.1636 9.34636 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 6.91184 6.095 5.0258 11.1791 14.1067 9.18675 numMergedOcc 0
35 mol 230 unq 0 iso 0 dist 6.88683 8.33847 6.87235 11.47 12.7053 8.49299 numMergedOcc 0
36 mol 230 unq 1 iso 0 dist 7.43793 9.12305 6.87235 8.83586 12.7053 8.49299 numMergedOcc 0
37 mol 230 unq 2 iso 0 dist 8.4739 9.12305 9.94041 8.83586 13.5839 8.49299 numMergedOcc 0
38 mol 235 unq 0 iso 0 dist 7.38609 7.93727 6.25956 7.49961 12.1746 9.2433 numMergedOcc 0
39 mol 236 unq 0 iso 0 dist 9.13126 6.73134 6.0258 10.1358 10.4188 8.77254 numMergedOcc 0
40 mol 253 unq 0 iso 0 dist 9.58767 8.07341 11.4733 7.67871 15.2617 7.7993 numMergedOcc 0
41 mol 253 unq 1 iso 0 dist 9.58767 8.07341 11.4733 12.5746 17.562 6.10761 numMergedOcc 0
42 mol 258 unq 0 iso 0 dist 6.08181 9.67877 5.09738 9.0655 7.66806 5.73296 numMergedOcc 0
43 mol 258 unq 1 iso 0 dist 7.70189 9.67877 10.4667 9.0655 11.0415 5.73296 numMergedOcc 0
44 mol 261 unq 0 iso 0 dist 6.41477 7.15785 4.50761 6.13416 9.50269 9.62828 numMergedOcc 0
45 mol 272 unq 0 iso 0 dist 7.50321 4.78812 5.96981 8.20642 11.7692 6.94346 numMergedOcc 0
46 mol 272 unq 1 iso 0 dist 7.50321 6.62923 7.55961 6.07797 11.0002 9.1118 numMergedOcc 0
47 mol 272 unq 2 iso 0 dist 9.61597 4.78812 6.76845 8.20642 13.5127 6.94346 numMergedOcc 0
48 mol 272 unq 3 iso 0 dist 9.61597 6.62923 5.43733 6.07797 12.6575 9.1118 numMergedOcc 0
49 mol 276 unq 0 iso 0 dist 8.14494 8.28881 12.431 4.48428 10.7652 7.70061 numMergedOcc 0
50 mol 276 unq 1 iso 0 dist 8.14494 5.30976 9.95911 4.48428 10.7652 9.05218 numMergedOcc 0
51 mol 279 unq 0 iso 0 dist 8.57035 5.17586 6.03718 5.72978 12.0799 8.13489 numMergedOcc 0
52 mol 284 unq 0 iso 0 dist 9.47963 6.86342 7.94887 5.36467 12.3718 8.10742 numMergedOcc 0
53 mol 285 unq 0 iso 0 dist 8.08495 7.66291 8.39941 12.6654 11.0136 8.71213 numMergedOcc 0
