0 mol 8 unq 0 iso 0 dist 5.38703 7.46102 7.36147 4.81384 8.79697 8.33604 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.67455 9.7522 5.71065 11.7823 10.5415 6.73162 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 9.82294 8.99491 5.9853 6.84612 5.1488 8.68586 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 9.01568 6.95595 4.95201 8.91765 9.24433 5.15851 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.41861 6.4551 10.6009 13.2281 16.993 9.49449 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 8.87089 7.74197 14.8536 10.0278 16.2116 8.66514 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 8.87089 7.74197 14.8536 8.37153 15.7907 9.25235 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.73946 5.02717 4.75197 9.81097 12.6726 8.66155 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 5.74058 5.49877 5.21262 6.53156 9.9263 6.89257 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 5.74058 5.49877 5.21262 4.72188 8.28884 8.74308 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 9.22494 4.44292 5.88096 4.40049 13.0413 7.39644 numMergedOcc 0
11 mol 155 unq 1 iso 0 dist 9.22494 4.44292 5.88096 6.61119 9.18489 7.70572 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 4.40476 7.88794 7.71164 4.23514 7.48151 6.68292 numMergedOcc 0
13 mol 213 unq 1 iso 0 dist 4.40476 7.88794 7.71164 6.58235 8.58039 4.26212 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 8.39553 8.90987 5.03564 14.3961 11.0934 7.17676 numMergedOcc 0
15 mol 236 unq 1 iso 0 dist 8.39553 8.90987 5.03564 12.7435 11.5406 6.68463 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 5.83514 9.66555 10.3683 8.92175 10.8592 7.49471 numMergedOcc 0
17 mol 256 unq 0 iso 0 dist 9.99628 7.67598 4.85574 9.40096 9.92048 5.24676 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 8.93518 6.42725 9.50515 7.53102 15.0482 6.77938 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 8.93518 6.42725 9.50515 6.58569 13.3209 7.76676 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 9.94957 9.772 17.2234 5.55314 13.6395 6.34034 numMergedOcc 0
