0 mol 14 unq 0 iso 0 dist 6.11408 5.35021 5.16461 11.7436 12.4371 8.39221 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 6.30589 8.71965 5.23686 13.9752 13.9867 9.29873 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 6.57749 4.52009 7.28199 6.57092 12.4286 9.9348 numMergedOcc 0
3 mol 104 unq 0 iso 0 dist 8.44593 7.43351 10.4022 9.70098 15.9384 9.22466 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 9.15982 9.03707 4.45081 6.29844 5.97879 8.64783 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.54701 8.91758 6.16644 17.2431 15.8618 9.93703 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 8.58344 6.61966 5.81849 8.43108 13.8593 9.42766 numMergedOcc 0
7 mol 119 unq 2 iso 0 dist 5.68879 6.61966 5.7998 8.43108 10.2589 9.42766 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.57623 6.46753 6.39358 6.02237 6.66607 8.40046 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 9.10144 9.7097 5.6296 9.38119 12.118 7.70349 numMergedOcc 0
10 mol 174 unq 0 iso 0 dist 5.11555 7.66734 5.07406 4.44203 4.93781 8.76218 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 7.03216 5.16184 4.39505 7.48422 9.36307 7.86625 numMergedOcc 0
12 mol 182 unq 1 iso 0 dist 9.42196 5.16184 11.2827 7.48422 15.8237 7.86625 numMergedOcc 0
13 mol 211 unq 0 iso 0 dist 8.62935 8.47937 5.63202 7.83036 11.8874 8.63308 numMergedOcc 0
14 mol 250 unq 0 iso 0 dist 9.73318 8.95513 11.7643 13.0766 18.9742 9.9605 numMergedOcc 0
15 mol 250 unq 1 iso 0 dist 5.75551 8.95513 5.64152 13.0766 13.4289 9.9605 numMergedOcc 0
16 mol 282 unq 0 iso 0 dist 7.28238 9.40138 10.499 8.93697 12.9555 5.67266 numMergedOcc 0
17 mol 282 unq 1 iso 0 dist 7.3389 9.40138 14.9652 8.93697 12.9821 5.67266 numMergedOcc 0
18 mol 284 unq 0 iso 0 dist 9.75137 4.70976 8.00007 5.32637 13.9809 8.42412 numMergedOcc 0
