0 mol 1 unq 0 iso 0 dist 5.65716 6.15359 9.60596 11.1504 7.73435 15.5095 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.65716 6.15359 9.60596 7.10269 5.71995 9.93683 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.27883 6.23608 4.75558 6.71712 8.63361 8.38433 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 8.37544 10.9658 9.06172 10.9801 6.13181 6.01358 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 4.92955 6.24438 9.06172 5.85716 6.13181 6.01358 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.53468 5.48316 9.23537 12.2874 8.58543 15.2389 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 5.90954 8.01468 9.23537 7.81776 8.58543 15.2389 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 9.07172 5.23504 6.54474 8.25036 7.63127 5.72753 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 9.2042 13.2178 8.49918 15.6002 9.14458 11.3572 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 9.08628 6.57343 5.32236 14.8387 7.32419 11.9192 numMergedOcc 0
10 mol 175 unq 1 iso 0 dist 9.08628 6.57343 5.32236 11.9554 8.31961 11.0956 numMergedOcc 0
11 mol 175 unq 2 iso 0 dist 8.35581 4.85698 5.32236 13.6171 7.32419 11.9192 numMergedOcc 0
12 mol 175 unq 3 iso 0 dist 8.35581 4.85698 5.32236 13.6238 8.31961 11.0956 numMergedOcc 0
13 mol 175 unq 4 iso 0 dist 6.72569 5.60933 5.32236 10.2269 7.32419 11.9192 numMergedOcc 0
14 mol 175 unq 5 iso 0 dist 6.72569 5.60933 5.32236 10.4606 8.31961 11.0956 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 7.47107 12.2364 9.13708 11.4288 5.52678 11.1809 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 7.47107 12.2364 9.13708 15.4624 9.81666 7.62027 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 7.63142 5.22155 5.74177 11.9939 9.83236 6.82423 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 9.6309 5.61487 9.71415 6.2347 9.06334 9.15607 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 8.12518 6.07494 5.05201 9.41039 9.56257 11.6645 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 9.77502 12.2389 7.22411 14.9983 9.81305 9.94188 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 9.77502 12.2389 7.22411 9.81171 6.89118 4.73244 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 8.06435 6.26246 9.82325 6.68355 7.63812 5.91026 numMergedOcc 0
23 mol 294 unq 0 iso 0 dist 9.2542 14.9507 8.11918 12.0758 7.41079 6.08162 numMergedOcc 0
