0 mol 26 unq 0 iso 0 dist 8.90473 7.12852 4.74747 10.0227 8.6385 7.61055 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 8.27156 4.89196 5.49555 6.70627 10.9202 9.87677 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 9.25901 6.88603 9.06747 10.5193 15.9084 7.4219 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 9.25901 6.88603 9.06747 12.1152 16.3344 7.30343 numMergedOcc 0
4 mol 90 unq 2 iso 0 dist 7.96299 6.88603 9.85676 10.5193 12.3658 7.4219 numMergedOcc 0
5 mol 90 unq 3 iso 0 dist 7.96299 6.88603 9.85676 12.1152 15.4326 7.30343 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 8.01724 5.80964 8.20144 6.87946 11.0933 9.13207 numMergedOcc 0
7 mol 94 unq 1 iso 0 dist 8.01724 5.80964 8.20144 5.25393 8.16733 5.18655 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 9.13159 8.32431 11.8465 11.2493 16.6869 8.76002 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 5.06555 9.68343 8.94259 10.214 8.93905 8.43028 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.66715 4.95674 12.0863 8.01896 16.5366 8.07135 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.00172 4.95674 9.53782 8.01896 15.7571 8.07135 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 8.95433 9.59094 4.68409 16.3347 12.2715 9.4062 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.31276 8.80672 14.0644 16.0482 19.7519 8.77898 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 5.79157 8.80672 12.6989 16.0482 18.2329 8.77898 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 5.50687 8.80672 8.96357 16.0482 16.4904 8.77898 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 8.94541 4.87879 5.9915 5.17069 10.4384 8.77898 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 7.30919 8.80672 5.9915 16.0482 10.4384 8.77898 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 6.44195 5.81632 5.83431 6.03671 10.8041 6.28417 numMergedOcc 0
19 mol 154 unq 1 iso 0 dist 7.34207 5.81632 6.53652 6.03671 7.72144 6.28417 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 8.04723 5.85439 5.25267 5.24118 4.92088 5.98771 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 8.27794 9.34871 6.14208 8.07046 7.20392 7.345 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 8.27794 5.55727 5.95965 8.07046 7.20392 9.52987 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 6.18446 6.58245 5.2908 8.66293 13.1911 9.71865 numMergedOcc 0
24 mol 197 unq 1 iso 0 dist 9.96544 6.58245 6.23998 8.66293 15.5295 9.71865 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 9.79816 5.66171 7.47048 10.5293 8.06216 9.67381 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 9.79816 5.66171 7.47048 10.888 5.76954 6.61099 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 6.45574 9.24964 9.66021 15.3727 17.7022 9.31673 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 8.14407 5.71896 9.66021 10.4695 17.7022 9.31673 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 9.07206 8.75957 16.8934 14.1397 22.9294 6.5422 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 7.77765 7.86196 6.17102 5.94806 9.13907 8.32473 numMergedOcc 0
