0 mol 33 unq 0 iso 0 dist 8.87925 7.55858 7.00648 10.416 9.63263 4.96642 numMergedOcc 0
1 mol 70 unq 0 iso 0 dist 9.49626 16.9284 7.92394 6.85924 6.54023 11.6542 numMergedOcc 0
2 mol 70 unq 1 iso 0 dist 9.49626 17.8674 9.93423 6.85924 6.54023 11.7156 numMergedOcc 0
3 mol 70 unq 2 iso 0 dist 9.49626 8.9375 9.34122 6.85924 6.54023 4.95817 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.9795 5.84688 9.47876 11.5334 7.1589 12.5072 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 9.26438 10.7144 5.87358 12.3653 5.34214 5.94311 numMergedOcc 0
6 mol 109 unq 1 iso 0 dist 6.43255 9.77909 5.87358 5.55157 5.34214 5.94311 numMergedOcc 0
7 mol 109 unq 2 iso 0 dist 7.4389 8.77144 5.87358 3.56506 5.34214 5.94311 numMergedOcc 0
8 mol 109 unq 3 iso 0 dist 7.24527 8.77144 9.20981 3.56506 7.55384 5.94311 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 6.71345 11.3386 8.71128 6.51881 6.34525 14.3491 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 6.71293 11.045 6.83051 7.72177 8.58188 8.52488 numMergedOcc 0
11 mol 124 unq 1 iso 0 dist 6.71293 11.7813 9.28376 7.72177 8.58188 5.93612 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 4.9155 13.386 8.6355 7.07077 5.53031 11.9544 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 8.49987 15.6111 8.6355 5.92316 5.53031 11.9544 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 9.42271 11.8215 8.6355 10.7289 5.53031 11.9544 numMergedOcc 0
15 mol 142 unq 0 iso 0 dist 8.86346 9.01957 7.15475 7.78477 9.17106 5.14959 numMergedOcc 0
16 mol 142 unq 1 iso 0 dist 4.93681 6.17441 7.15475 6.74129 9.17106 5.14959 numMergedOcc 0
17 mol 178 unq 0 iso 0 dist 8.04723 11.7065 8.96511 5.24118 4.92088 7.07052 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 9.79816 5.5349 8.53199 10.5293 8.06216 5.31559 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 9.79816 5.5349 8.53199 10.888 5.76954 8.21424 numMergedOcc 0
20 mol 218 unq 2 iso 0 dist 9.79816 5.5349 8.53199 8.17702 6.29511 10.1198 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 8.14644 8.02272 6.84247 6.53366 5.45036 5.49803 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 8.14644 8.02272 6.84247 9.80599 9.97586 7.44322 numMergedOcc 0
23 mol 220 unq 2 iso 0 dist 8.14644 9.32762 6.99002 6.53366 5.45036 11.2241 numMergedOcc 0
24 mol 220 unq 3 iso 0 dist 8.14644 9.32762 6.99002 9.80599 9.97586 9.68359 numMergedOcc 0
25 mol 240 unq 0 iso 0 dist 7.6664 7.49446 6.15305 14.1051 9.47583 9.75032 numMergedOcc 0
26 mol 240 unq 1 iso 0 dist 7.6664 6.30896 8.0951 14.1051 9.47583 12.9871 numMergedOcc 0
