0 mol 7 unq 0 iso 0 dist 5.51421 6.769 6.8464 10.6104 8.41585 5.0893 16.4746 12.8323 14.0737 9.87885 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 11.0096 8.80331 14.0204 12.266 5.41726 12.8366 6.6263 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.38387 4.99287 8.03754 11.8286 6.20293 13.1056 12.266 5.41726 12.8366 6.75943 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 9.65047 16.8321 9.64673 5.69671 8.03644 16.4832 12.0576 15.6249 22.8432 8.27883 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 9.65047 16.8321 9.64673 5.69671 8.03644 16.4832 10.4457 12.4896 21.3539 5.75428 numMergedOcc 0
5 mol 95 unq 2 iso 0 dist 9.65047 16.8321 9.64673 5.69671 8.03644 16.4832 9.70292 14.2178 23.6493 8.57395 numMergedOcc 0
6 mol 95 unq 3 iso 0 dist 9.65047 16.8321 9.64673 5.69671 8.03644 16.4832 9.59704 8.78079 17.3737 9.85409 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.3164 12.6973 9.41191 11.5656 8.69985 12.7291 9.94704 5.00433 14.206 8.52024 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 5.86531 4.98521 9.47554 9.73435 8.00618 9.67676 13.1452 15.0115 10.3522 8.77023 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 9.92932 5.73962 9.16358 10.5108 8.94367 10.0911 12.3555 7.41373 14.33 9.33094 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 9.92932 5.73962 9.16358 6.20443 9.86662 9.66197 14.5777 12.8086 17.7356 9.1998 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 9.92932 5.73962 9.16358 6.20443 9.86662 9.66197 12.3555 7.41373 14.33 8.69531 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 9.60411 5.73962 6.48328 10.5108 6.37586 10.0911 12.3555 10.8635 14.33 9.33094 numMergedOcc 0
13 mol 134 unq 4 iso 0 dist 9.60411 5.73962 6.48328 6.20443 9.71307 9.66197 14.5777 15.0225 17.7356 9.1998 numMergedOcc 0
14 mol 134 unq 5 iso 0 dist 9.60411 5.73962 6.48328 6.20443 9.71307 9.66197 12.3555 10.8635 14.33 8.69531 numMergedOcc 0
15 mol 134 unq 6 iso 0 dist 9.55556 10.971 9.16358 11.9294 8.94367 10.0911 8.78303 7.41373 14.33 9.33094 numMergedOcc 0
16 mol 134 unq 7 iso 0 dist 9.55556 10.971 9.16358 6.36794 9.86662 9.66197 10.6236 12.8086 17.7356 9.1998 numMergedOcc 0
17 mol 134 unq 8 iso 0 dist 9.55556 10.971 9.16358 6.36794 9.86662 9.66197 8.78303 7.41373 14.33 8.69531 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 8.07256 4.81561 8.41774 10.4039 8.56324 13.1435 12.0918 5.39112 12.9285 6.59889 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 8.07256 4.81561 8.41774 10.4039 8.56324 13.1435 11.756 4.84714 11.2309 8.9192 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 8.07256 4.81561 8.41774 11.1874 6.70283 13.793 12.0918 5.39112 12.9285 6.70693 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 5.59806 9.13316 9.23645 8.66436 9.87651 6.45463 10.7297 7.87971 9.41209 7.20495 numMergedOcc 0
22 mol 167 unq 1 iso 0 dist 5.59806 9.13316 9.23645 8.66436 9.87651 6.45463 11.298 12.0033 14.8848 9.2289 numMergedOcc 0
23 mol 167 unq 2 iso 0 dist 5.59806 9.13316 9.23645 8.66436 9.87651 6.45463 11.5835 11.6011 12.7968 7.02548 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 8.46129 6.32111 8.80858 6.31508 6.65832 4.46743 6.32334 5.76843 10.0366 6.99769 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 8.46129 6.32111 8.80858 5.72088 6.60589 4.93626 6.32334 5.76843 10.0366 8.79428 numMergedOcc 0
26 mol 224 unq 2 iso 0 dist 8.46129 6.32111 8.80858 6.51315 9.16166 11.8641 6.32334 5.76843 10.0366 6.8692 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 9.89665 4.93347 6.61371 11.247 7.68742 9.63949 13.747 4.89609 11.3386 9.3206 numMergedOcc 0
28 mol 236 unq 1 iso 0 dist 5.66569 4.60599 5.90804 4.15973 6.27581 7.45579 11.2893 10.5774 10.2767 9.3206 numMergedOcc 0
29 mol 236 unq 2 iso 0 dist 6.11137 4.24722 5.90804 9.01197 6.27581 7.45579 14.0625 10.5774 10.2767 9.3206 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 9.94315 5.64173 4.80834 12.521 5.72887 7.04671 7.13727 7.06793 5.52788 9.72188 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 8.59074 4.11566 4.80834 9.18011 5.72887 7.04671 8.56975 7.06793 5.52788 9.72188 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 6.2365 5.64162 4.80834 4.7157 5.72887 7.04671 10.5721 7.06793 5.52788 9.72188 numMergedOcc 0
