0 mol 18 unq 0 iso 0 dist 8.1366 6.91413 9.146 10.107 6.01053 14.1157 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 5.94787 7.05867 5.69805 10.1192 9.854 10.9948 numMergedOcc 0
2 mol 62 unq 1 iso 0 dist 5.94787 7.05867 5.69805 5.28824 8.23749 9.46994 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 7.82214 8.82052 6.47761 9.53239 8.77199 10.7271 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 7.82214 8.82052 6.47761 13.0232 8.81824 10.255 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 5.27549 8.51585 4.80028 7.36905 8.5457 10.7631 numMergedOcc 0
6 mol 120 unq 1 iso 0 dist 5.27549 8.51585 4.80028 6.1358 6.7928 10.9338 numMergedOcc 0
7 mol 120 unq 2 iso 0 dist 5.27549 8.51585 4.80028 8.18801 7.59189 12.3252 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 9.40368 9.36312 8.438 12.7556 7.13306 14.4548 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 8.71292 5.32135 10.0783 6.05321 6.64326 10.5674 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 7.71402 6.6276 8.73305 12.6052 6.85239 15.4782 numMergedOcc 0
11 mol 167 unq 1 iso 0 dist 7.71402 6.6276 8.73305 12.4033 5.72735 13.8512 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 6.28518 7.47477 9.9437 8.89771 9.65041 15.9881 numMergedOcc 0
13 mol 206 unq 1 iso 0 dist 6.09565 8.65572 12.9835 4.22704 4.98125 12.292 numMergedOcc 0
14 mol 206 unq 2 iso 0 dist 6.09565 8.39332 5.10059 4.22704 4.98125 9.47122 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 9.64316 7.09453 4.77424 10.7618 6.51465 8.19603 numMergedOcc 0
16 mol 229 unq 1 iso 0 dist 7.69711 8.69109 4.77424 5.93705 6.51465 8.19603 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 6.38041 9.45457 5.52123 9.00146 7.48298 6.86945 numMergedOcc 0
18 mol 261 unq 0 iso 0 dist 9.00616 5.67349 9.46424 4.63237 9.00426 5.26434 numMergedOcc 0
19 mol 261 unq 1 iso 0 dist 6.35699 5.67349 7.48263 4.63237 8.19348 5.26434 numMergedOcc 0
