0 mol 5 unq 0 iso 0 dist 6.81899 5.7208 9.19117 6.28914 8.97274 11.9147 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.81899 7.89848 9.65106 6.28914 8.97274 4.2849 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 7.67459 6.82158 5.51659 9.50501 6.57633 5.5061 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.79657 12.5527 8.80801 9.60708 8.8645 11.1932 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 4.80247 7.62116 9.45622 10.8339 9.23105 17.8407 numMergedOcc 0
5 mol 56 unq 1 iso 0 dist 4.80247 7.62116 9.45622 7.01089 6.14494 14.134 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 5.37449 4.55325 8.79971 7.15288 9.73179 10.1026 numMergedOcc 0
7 mol 87 unq 0 iso 0 dist 7.35921 4.78036 9.42123 5.21656 9.72782 8.42355 numMergedOcc 0
8 mol 87 unq 1 iso 0 dist 7.35921 4.78036 9.42123 7.42523 8.81954 11.8311 numMergedOcc 0
9 mol 87 unq 2 iso 0 dist 7.35921 11.8835 9.67406 5.21656 9.72782 10.5956 numMergedOcc 0
10 mol 87 unq 3 iso 0 dist 7.35921 11.8835 9.67406 7.42523 8.81954 5.72288 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 9.27341 7.18925 6.89622 10.2277 7.94976 5.46646 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.6409 4.29134 6.94326 9.55695 6.84679 6.01218 numMergedOcc 0
13 mol 235 unq 0 iso 0 dist 7.30003 7.34151 8.74649 7.4921 7.93194 13.0354 numMergedOcc 0
14 mol 244 unq 0 iso 0 dist 6.2667 13.018 8.92083 4.69103 8.93589 13.1329 numMergedOcc 0
15 mol 267 unq 0 iso 0 dist 8.21131 9.4862 5.61894 9.10508 5.463 4.74052 numMergedOcc 0
16 mol 267 unq 1 iso 0 dist 8.21131 9.4862 5.61894 10.0159 8.68244 14.029 numMergedOcc 0
17 mol 267 unq 2 iso 0 dist 8.21131 9.4862 5.61894 13.2368 9.46729 14.6181 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 8.44356 12.806 7.92464 4.53492 5.32839 8.31788 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 8.44356 12.806 7.92464 4.53492 5.32839 8.31788 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 8.44356 12.806 7.92464 4.53492 5.32839 8.31788 numMergedOcc 0
