0 mol 34 unq 0 iso 0 dist 9.3613 8.8717 17.5627 7.16404 6.85305 13.2073 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 6.56791 9.46333 7.40179 5.45587 7.57586 7.57959 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.32436 6.22124 7.34525 5.40129 8.62769 10.8919 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 9.48319 9.93908 14.0049 5.88392 7.77558 13.9023 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 8.65807 9.36312 5.32363 6.73179 7.21902 10.7041 numMergedOcc 0
5 mol 189 unq 0 iso 0 dist 8.01521 9.5853 8.53414 5.56399 8.57361 8.56355 numMergedOcc 0
6 mol 206 unq 0 iso 0 dist 7.53036 8.65572 11.8096 4.22704 5.79186 12.292 numMergedOcc 0
7 mol 206 unq 1 iso 0 dist 7.53036 8.39332 10.879 4.22704 5.79186 9.47122 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 5.60195 8.84133 5.41948 12.0174 8.9077 5.45036 numMergedOcc 0
9 mol 220 unq 1 iso 0 dist 7.87359 8.81001 5.41948 9.89208 8.9077 5.45036 numMergedOcc 0
10 mol 229 unq 0 iso 0 dist 5.99687 7.09453 5.77507 10.7618 9.92027 8.19603 numMergedOcc 0
11 mol 229 unq 1 iso 0 dist 7.10623 8.69109 5.77507 5.93705 9.92027 8.19603 numMergedOcc 0
12 mol 236 unq 0 iso 0 dist 5.46484 9.33359 10.151 9.62351 9.96011 18.0067 numMergedOcc 0
13 mol 261 unq 0 iso 0 dist 6.93654 5.67349 11.2562 6.39263 8.50313 8.60026 numMergedOcc 0
14 mol 261 unq 1 iso 0 dist 9.66298 5.67349 13.4429 6.39263 7.6414 8.60026 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 4.98604 9.79154 9.12324 8.54773 7.13655 16.1988 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 4.98604 9.79154 9.12324 8.54773 7.13655 16.1988 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 4.98604 9.79154 9.12324 8.54773 7.13655 16.1988 numMergedOcc 0
