0 mol 8 unq 0 iso 0 dist 8.80278 8.37509 4.43686 8.23769 5.86575 7.05482 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.73998 8.37509 15.5539 8.23769 15.9437 7.05482 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 7.57227 7.77338 9.01319 7.61429 4.94089 5.40507 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 5.97418 8.46207 6.29462 6.96665 12.1181 13.13 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.0009 9.51572 6.48377 8.81795 8.73619 10.6025 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.91298 9.51572 11.9543 8.81795 8.70732 10.6025 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 6.57749 4.52009 7.28199 8.57393 12.2982 5.52457 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 7.33546 9.01561 14.0643 7.01186 8.57358 6.40485 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 5.72494 6.13194 11.0116 8.68825 11.8761 4.95298 numMergedOcc 0
9 mol 103 unq 1 iso 0 dist 8.70106 6.13194 13.5214 8.68825 13.2825 4.95298 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.54701 8.91758 6.16644 6.41992 4.8922 8.19286 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.54701 8.91758 6.16644 8.15125 10.7175 10.5326 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 6.31232 9.69841 11.0785 7.87439 10.5562 10.5858 numMergedOcc 0
13 mol 124 unq 1 iso 0 dist 7.17224 9.69841 7.13014 7.87439 5.16528 10.5858 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 8.95717 6.30762 4.1643 8.78173 4.43386 5.53162 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 4.46578 6.90904 6.63023 8.1716 6.95294 6.8965 numMergedOcc 0
16 mol 136 unq 0 iso 0 dist 8.06032 8.75073 15.2729 6.60605 8.63299 7.88187 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 9.76501 8.20024 4.25746 4.86894 5.70415 5.41014 numMergedOcc 0
18 mol 143 unq 1 iso 0 dist 9.76501 7.19059 8.05158 4.86894 5.70415 5.45952 numMergedOcc 0
19 mol 148 unq 0 iso 0 dist 8.80448 7.76167 8.44462 6.3102 10.3367 6.94302 numMergedOcc 0
20 mol 148 unq 1 iso 0 dist 8.80448 8.63766 7.06829 6.3102 10.3367 12.3565 numMergedOcc 0
21 mol 148 unq 2 iso 0 dist 8.80448 8.42082 13.2635 6.3102 10.3367 5.58057 numMergedOcc 0
22 mol 148 unq 3 iso 0 dist 8.60157 6.81055 13.8725 9.69869 8.92915 14.6727 numMergedOcc 0
23 mol 148 unq 4 iso 0 dist 8.60157 6.81055 13.8725 4.7785 6.43817 8.95758 numMergedOcc 0
24 mol 148 unq 5 iso 0 dist 6.72591 6.81055 11.2206 9.69869 5.27089 14.6727 numMergedOcc 0
25 mol 148 unq 6 iso 0 dist 6.72591 6.81055 11.2206 4.7785 6.16168 8.95758 numMergedOcc 0
26 mol 150 unq 0 iso 0 dist 8.78855 7.83202 8.51103 6.25629 10.2679 6.83379 numMergedOcc 0
27 mol 150 unq 1 iso 0 dist 8.78855 8.7107 7.13108 6.25629 10.2679 12.2713 numMergedOcc 0
28 mol 150 unq 2 iso 0 dist 8.78855 8.47493 13.2655 6.25629 10.2679 5.55906 numMergedOcc 0
29 mol 150 unq 3 iso 0 dist 8.59359 6.77966 13.845 9.67177 8.91101 14.5997 numMergedOcc 0
30 mol 150 unq 4 iso 0 dist 8.59359 6.77966 13.845 4.79493 6.48058 8.91883 numMergedOcc 0
31 mol 150 unq 5 iso 0 dist 6.80192 6.77966 11.1844 9.67177 5.24014 14.5997 numMergedOcc 0
32 mol 150 unq 6 iso 0 dist 6.80192 6.77966 11.1844 4.79493 6.14967 8.91883 numMergedOcc 0
33 mol 189 unq 0 iso 0 dist 8.81184 9.22035 6.53924 7.17249 10.6575 6.20044 numMergedOcc 0
34 mol 189 unq 1 iso 0 dist 9.71306 9.22035 17.3417 7.17249 13.8163 6.20044 numMergedOcc 0
35 mol 189 unq 2 iso 0 dist 9.20296 9.22035 14.0791 7.17249 8.33972 6.20044 numMergedOcc 0
36 mol 226 unq 0 iso 0 dist 7.6174 6.93858 11.8711 5.61473 7.32691 5.17976 numMergedOcc 0
37 mol 239 unq 0 iso 0 dist 4.70107 8.78029 10.4744 7.48307 6.62046 6.62271 numMergedOcc 0
38 mol 260 unq 0 iso 0 dist 9.94532 4.49691 10.2094 6.57783 8.59973 9.25828 numMergedOcc 0
39 mol 260 unq 1 iso 0 dist 9.94532 4.49691 10.2094 6.18853 11.1345 6.48544 numMergedOcc 0
40 mol 260 unq 2 iso 0 dist 9.94532 4.49691 10.2094 9.39891 5.0414 10.1972 numMergedOcc 0
