0 mol 54 unq 0 iso 0 dist 9.5915 8.34361 14.8102 5.97635 9.88291 5.65405 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.59503 4.98783 13.8441 8.4545 4.73713 11.5195 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 9.59503 4.98783 13.8441 7.01176 4.36394 11.5567 numMergedOcc 0
3 mol 92 unq 2 iso 0 dist 9.61119 4.98783 14.4048 8.4545 9.29076 11.5195 numMergedOcc 0
4 mol 92 unq 3 iso 0 dist 9.61119 4.98783 14.4048 7.01176 4.39652 11.5567 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 7.84249 9.28645 4.59061 7.53905 4.34071 6.95852 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 7.84249 9.28645 4.59061 7.15985 11.6091 9.99381 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 7.10223 8.5081 5.55349 7.26897 10.2589 10.7202 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 6.91762 7.49276 6.16281 4.44292 5.01007 4.97552 numMergedOcc 0
9 mol 180 unq 0 iso 0 dist 8.39718 9.71085 5.44525 7.1027 4.28574 6.43878 numMergedOcc 0
10 mol 238 unq 0 iso 0 dist 7.82564 5.83646 5.12308 9.94315 5.65577 10.1036 numMergedOcc 0
11 mol 238 unq 1 iso 0 dist 9.91136 5.83646 4.29839 9.94315 10.5703 10.1036 numMergedOcc 0
12 mol 244 unq 0 iso 0 dist 5.06669 8.19381 8.71894 7.65388 11.6777 8.82711 numMergedOcc 0
13 mol 244 unq 1 iso 0 dist 5.06669 8.93421 7.94286 7.65388 11.6777 16.3489 numMergedOcc 0
14 mol 244 unq 2 iso 0 dist 5.06669 7.35657 5.36127 7.65388 11.6777 14.6599 numMergedOcc 0
15 mol 244 unq 3 iso 0 dist 5.06669 6.19605 6.81518 7.65388 11.6777 11.9885 numMergedOcc 0
16 mol 244 unq 4 iso 0 dist 5.65248 8.19381 8.52699 7.65388 7.45211 8.82711 numMergedOcc 0
17 mol 244 unq 5 iso 0 dist 5.65248 8.93421 12.4452 7.65388 7.45211 16.3489 numMergedOcc 0
18 mol 244 unq 6 iso 0 dist 5.65248 7.35657 11.2736 7.65388 7.45211 14.6599 numMergedOcc 0
19 mol 244 unq 7 iso 0 dist 5.65248 6.19605 7.59011 7.65388 7.45211 11.9885 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 8.23739 9.27027 5.26034 6.36911 4.37426 8.6219 numMergedOcc 0
21 mol 257 unq 1 iso 0 dist 8.23739 9.27027 5.26034 7.82899 5.8531 6.64096 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.37512 6.41167 5.76241 5.73834 4.16729 5.13233 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 9.05363 5.16838 11.3649 5.90645 6.64729 5.20592 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 5.30455 9.03983 9.69102 6.42725 5.59901 7.27401 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 6.8184 9.03983 4.76806 6.42725 4.30432 7.27401 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 8.35169 7.40069 4.41308 7.53641 8.04474 9.38462 numMergedOcc 0
27 mol 292 unq 1 iso 0 dist 7.7557 7.40069 5.43452 7.53641 9.00118 9.38462 numMergedOcc 0
