0 mol 1 unq 0 iso 0 dist 5.65716 4.36042 8.26708 12.2921 8.31812 12.3378 11.1504 7.73435 10.5521 3.41028 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.65716 4.36042 8.26708 12.2921 8.31812 12.3378 7.10269 5.71995 7.15595 6.04733 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 5.65716 6.44928 6.09918 12.2921 8.31812 10.1354 11.1504 7.73435 7.4817 3.41028 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 5.65716 6.44928 6.09918 12.2921 8.31812 10.1354 7.10269 5.71995 7.63941 6.04733 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.93613 11.7623 9.78006 11.071 6.20227 10.6533 6.49896 5.55437 11.0722 5.06967 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.70141 13.2653 4.93188 9.42167 4.87192 7.6222 12.8473 9.40479 9.48345 6.79243 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.70141 13.2653 4.93188 9.42167 4.87192 7.6222 4.36056 9.58012 14.4162 8.74779 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.70141 5.80023 9.24958 9.42167 4.87192 11.7026 12.8473 9.40479 13.1456 6.79243 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.70141 5.80023 9.24958 9.42167 4.87192 11.7026 4.36056 9.58012 10.0655 8.74779 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 8.48559 6.46702 6.20182 10.7014 6.00293 5.05715 5.61836 8.53374 6.69868 11.092 numMergedOcc 0
10 mol 163 unq 0 iso 0 dist 5.80513 4.12904 8.38738 7.55428 7.27002 10.1139 3.64474 7.3546 6.94217 5.57459 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 9.08628 4.358 8.0154 15.459 6.59925 13.4456 14.8387 7.32419 12.3408 3.87881 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 9.08628 4.358 8.0154 15.459 6.59925 13.4456 11.9554 8.31961 8.68081 9.0465 numMergedOcc 0
13 mol 175 unq 2 iso 0 dist 8.35581 9.63193 8.0154 12.0623 6.59925 13.4456 13.6171 7.32419 12.3408 3.87881 numMergedOcc 0
14 mol 175 unq 3 iso 0 dist 8.35581 9.63193 8.0154 12.0623 6.59925 13.4456 13.6238 8.31961 8.68081 9.0465 numMergedOcc 0
15 mol 175 unq 4 iso 0 dist 6.72569 8.97821 8.0154 9.05904 6.59925 13.4456 10.2269 7.32419 12.3408 3.87881 numMergedOcc 0
16 mol 175 unq 5 iso 0 dist 6.72569 8.97821 8.0154 9.05904 6.59925 13.4456 10.4606 8.31961 8.68081 9.0465 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 9.86028 7.39369 11.1912 11.4288 5.52678 6.66155 6.2135 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 9.86028 7.39369 11.1912 15.4624 9.81666 5.4499 13.7 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 7.47107 9.36943 8.12346 9.86028 7.39369 6.11279 11.4288 5.52678 6.12973 6.2135 numMergedOcc 0
20 mol 194 unq 3 iso 0 dist 7.47107 9.36943 8.12346 9.86028 7.39369 6.11279 15.4624 9.81666 11.0239 13.7 numMergedOcc 0
21 mol 194 unq 4 iso 0 dist 7.47107 7.72655 8.83356 9.86028 7.39369 9.99597 11.4288 5.52678 13.0333 6.2135 numMergedOcc 0
22 mol 194 unq 5 iso 0 dist 7.47107 7.72655 8.83356 9.86028 7.39369 9.99597 15.4624 9.81666 18.6469 13.7 numMergedOcc 0
23 mol 194 unq 6 iso 0 dist 7.47107 4.57265 8.2654 9.86028 7.39369 9.50345 11.4288 5.52678 10.1796 6.2135 numMergedOcc 0
24 mol 194 unq 7 iso 0 dist 7.47107 4.57265 8.2654 9.86028 7.39369 9.50345 15.4624 9.81666 13.5457 13.7 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 9.86462 4.29962 8.0751 10.27 6.45821 7.79008 5.92515 8.22792 7.85475 12.0728 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 16.1823 9.18343 11.7207 7.01029 6.53728 11.5135 15.612 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 10.394 7.14633 6.21901 9.41039 9.56257 10.5813 13.4732 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 8.12518 12.3465 8.38865 12.4845 9.94302 13.798 9.41039 9.56257 10.5813 6.30626 numMergedOcc 0
29 mol 227 unq 2 iso 0 dist 8.12518 7.2593 5.4694 10.394 7.14633 6.29394 9.41039 9.56257 7.22396 13.4732 numMergedOcc 0
30 mol 227 unq 3 iso 0 dist 8.12518 7.2593 5.4694 12.4845 9.94302 10.9445 9.41039 9.56257 7.22396 6.30626 numMergedOcc 0
31 mol 240 unq 0 iso 0 dist 8.44671 15.9853 9.47583 10.8851 7.35934 11.6095 10.128 9.53915 10.6074 7.15087 numMergedOcc 0
32 mol 240 unq 1 iso 0 dist 8.44671 13.1893 8.44909 10.8851 7.35934 11.9494 10.128 9.53915 9.23135 7.15087 numMergedOcc 0
33 mol 251 unq 0 iso 0 dist 8.38382 8.64172 8.01198 3.43331 6.12282 7.703 5.12873 8.53757 6.6269 6.84219 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 8.78354 11.5659 6.70815 4.41915 8.65191 9.34197 6.73942 6.47194 6.6525 3.42387 numMergedOcc 0
35 mol 258 unq 1 iso 0 dist 8.78354 11.716 7.99477 4.41915 8.65191 8.40328 6.73942 6.47194 5.27959 3.42387 numMergedOcc 0
