0 mol 12 unq 0 iso 0 dist 5.25583 5.77108 6.6051 8.27891 8.15864 10.1259 5.76006 4.86727 5.9021 12.2342 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 5.25583 5.77108 6.6051 8.27891 8.15864 10.1259 13.3953 10.763 8.98466 12.3593 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 7.85826 7.26196 5.66803 7.27834 8.85416 12.1186 5.65519 5.88036 6.08228 9.86958 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 7.85826 7.27834 8.85416 7.26196 5.66803 12.1186 5.65519 5.88036 9.86958 6.08228 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.63813 8.65163 5.73235 11.1941 7.48127 10.0928 10.5228 5.22567 7.02854 12.4201 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 8.88177 5.87263 8.078 6.01015 7.66418 6.73664 12.3073 8.96379 7.81042 13.0426 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.61918 13.2228 5.79195 15.392 9.2759 12.1681 9.71281 5.35551 9.07294 7.50126 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 8.61918 13.2228 5.79195 15.6785 8.76088 9.34083 9.71281 5.35551 9.07294 12.8985 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 8.61918 15.392 9.2759 13.2228 5.79195 12.1681 16.3752 10.8516 5.12189 14.2037 numMergedOcc 0
9 mol 133 unq 3 iso 0 dist 8.61918 15.392 9.2759 13.2228 5.79195 12.1681 9.71281 5.35551 7.50126 9.07294 numMergedOcc 0
10 mol 133 unq 4 iso 0 dist 8.61918 15.392 9.2759 15.6785 8.76088 11.2107 16.3752 10.8516 5.12189 9.428 numMergedOcc 0
11 mol 133 unq 5 iso 0 dist 8.61918 15.392 9.2759 15.6785 8.76088 11.2107 9.71281 5.35551 7.50126 12.8985 numMergedOcc 0
12 mol 140 unq 0 iso 0 dist 9.16949 5.14081 7.60956 11.7651 9.13339 8.73614 9.83976 4.8476 8.05043 12.7279 numMergedOcc 0
13 mol 189 unq 0 iso 0 dist 9.46859 6.34597 9.47321 4.50095 6.38294 8.74557 9.57128 8.03657 5.11059 10.0857 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 7.61854 8.73194 7.74348 11.7831 8.63249 15.386 13.7125 13.5224 7.6402 21.9904 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 6.77267 4.43495 7.58554 4.20175 8.26312 7.99748 10.0379 5.94643 9.59937 10.2589 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 6.77021 5.83092 8.58092 9.76099 7.53199 8.76629 7.42888 13.2474 8.97411 16.4669 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 6.77021 5.83092 8.58092 5.09024 7.40014 5.64447 7.42888 13.2474 8.97411 11.4777 numMergedOcc 0
18 mol 258 unq 2 iso 0 dist 5.86702 4.69752 7.25618 4.18036 8.70193 7.64421 10.6825 11.0025 6.08181 13.3732 numMergedOcc 0
19 mol 258 unq 3 iso 0 dist 5.86702 4.69752 7.25618 4.18036 8.70193 7.64421 8.8726 9.46467 7.70189 12.9422 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 8.54653 7.48605 8.83076 6.25509 9.76967 11.8293 14.9183 9.88995 9.43447 18.3759 numMergedOcc 0
21 mol 280 unq 1 iso 0 dist 8.71581 9.78493 8.83076 7.74111 9.76967 11.8293 14.6668 9.88995 9.43447 18.3759 numMergedOcc 0
22 mol 280 unq 2 iso 0 dist 9.79817 9.73214 8.83076 13.8226 9.76967 11.8293 10.7318 9.88995 9.43447 18.3759 numMergedOcc 0
23 mol 294 unq 0 iso 0 dist 5.25409 5.29391 9.77023 4.06072 6.37998 8.23817 5.47073 7.87494 5.76337 9.47998 numMergedOcc 0
24 mol 294 unq 1 iso 0 dist 5.25409 5.29391 9.77023 4.06072 6.37998 8.23817 9.5861 11.4878 9.39625 13.3652 numMergedOcc 0
