0 mol 0 unq 0 iso 0 dist 6.8892 5.55156 5.85361 7.16694 9.16606 6.94181 13.7584 11.4815 14.0556 9.94618 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.02869 5.83658 5.37308 15.4291 9.28571 10.1987 8.14952 8.4061 4.92824 8.77648 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.02869 5.83658 5.37308 14.326 8.05125 12.8628 13.7851 5.96526 10.1919 6.0323 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.43409 8.04926 3.73188 5.81148 8.0757 8.40931 11.2096 4.98324 7.40093 9.49909 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 7.43409 8.04926 3.73188 10.7288 9.8958 12.9423 11.2096 4.98324 7.40093 8.37022 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 7.18976 7.23052 5.1738 9.2094 8.03603 6.35314 10.619 5.26643 5.31501 5.61764 numMergedOcc 0
6 mol 140 unq 0 iso 0 dist 9.13339 8.28732 7.94378 5.90456 6.55217 9.89896 12.7279 4.8476 12.4171 9.74209 numMergedOcc 0
7 mol 170 unq 0 iso 0 dist 4.44987 7.15418 4.81264 11.8056 9.15159 10.867 12.1211 7.9212 8.83341 5.94075 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 4.81837 6.57849 5.47046 6.25023 7.25362 11.5674 11.4441 8.94296 11.1733 9.90674 numMergedOcc 0
9 mol 223 unq 0 iso 0 dist 6.97426 9.94212 15.9255 4.68566 7.96628 13.4805 9.29204 4.73988 18.385 9.86372 numMergedOcc 0
10 mol 223 unq 1 iso 0 dist 6.97426 9.94212 15.9255 4.68566 7.96628 13.4805 9.14789 4.78255 19.0281 7.70946 numMergedOcc 0
11 mol 223 unq 2 iso 0 dist 6.97426 7.34316 8.64175 4.68566 7.96628 11.0403 9.29204 4.73988 8.16187 9.86372 numMergedOcc 0
12 mol 223 unq 3 iso 0 dist 6.97426 7.34316 8.64175 4.68566 7.96628 11.0403 9.14789 4.78255 11.2364 7.70946 numMergedOcc 0
13 mol 223 unq 4 iso 0 dist 8.87456 9.94212 17.7343 4.68566 7.76053 13.4805 9.29204 8.36102 18.385 9.86372 numMergedOcc 0
14 mol 223 unq 5 iso 0 dist 8.87456 9.94212 17.7343 4.68566 7.76053 13.4805 9.14789 5.43913 19.0281 7.70946 numMergedOcc 0
15 mol 223 unq 6 iso 0 dist 8.87456 7.34316 12.9895 4.68566 7.76053 11.0403 9.29204 8.36102 8.16187 9.86372 numMergedOcc 0
16 mol 223 unq 7 iso 0 dist 8.87456 7.34316 12.9895 4.68566 7.76053 11.0403 9.14789 5.43913 11.2364 7.70946 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 8.10903 9.67877 13.3533 5.79358 8.73425 12.6095 7.70189 5.27718 10.4667 6.59521 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 8.10903 8.81059 5.90131 5.79358 8.73425 8.21585 7.70189 5.27718 9.22664 6.59521 numMergedOcc 0
19 mol 258 unq 2 iso 0 dist 8.10903 9.12006 9.68064 5.79358 8.73425 10.6274 7.70189 5.27718 13.0489 6.59521 numMergedOcc 0
20 mol 258 unq 3 iso 0 dist 8.70193 7.9357 4.51422 7.88062 9.65711 8.21585 12.9422 9.46467 9.22664 6.59521 numMergedOcc 0
21 mol 258 unq 4 iso 0 dist 8.70193 5.79537 4.99997 7.88062 9.65711 10.6274 12.9422 9.46467 13.0489 6.59521 numMergedOcc 0
22 mol 258 unq 5 iso 0 dist 7.25618 9.67877 15.0574 5.79358 9.65711 12.6095 7.70189 9.46467 10.4667 6.59521 numMergedOcc 0
23 mol 258 unq 6 iso 0 dist 7.25618 8.81059 4.51422 5.79358 9.65711 8.21585 7.70189 9.46467 9.22664 6.59521 numMergedOcc 0
24 mol 258 unq 7 iso 0 dist 7.25618 9.12006 4.99997 5.79358 9.65711 10.6274 7.70189 9.46467 13.0489 6.59521 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 7.58385 8.50313 6.88989 6.29331 8.25759 11.1786 12.1419 7.45398 10.3742 8.64393 numMergedOcc 0
26 mol 261 unq 1 iso 0 dist 6.0437 8.50313 4.25662 6.29331 6.99444 11.1786 12.1419 7.70154 10.3742 8.64393 numMergedOcc 0
27 mol 261 unq 2 iso 0 dist 4.85199 7.6414 4.25662 6.40309 6.99444 11.1786 11.1793 7.70154 10.3742 8.64393 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 5.78262 6.54753 4.77695 7.01631 7.84151 10.3979 13.861 10.402 12.3428 9.36052 numMergedOcc 0
