0 mol 4 unq 0 iso 0 dist 7.06429 8.24634 7.14866 6.29581 7.22113 7.35416 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 7.06429 9.16617 5.50517 6.29581 7.22113 6.42755 numMergedOcc 0
2 mol 4 unq 2 iso 0 dist 7.06429 8.87255 4.73956 6.29581 7.22113 10.4501 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 7.16149 7.51452 3.61632 13.457 6.86736 6.3253 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 7.16149 7.51452 3.61632 11.3821 8.17383 5.80568 numMergedOcc 0
5 mol 20 unq 2 iso 0 dist 7.16149 6.03547 4.32143 13.457 6.86736 10.6446 numMergedOcc 0
6 mol 20 unq 3 iso 0 dist 7.16149 6.03547 4.32143 11.3821 8.17383 10.0032 numMergedOcc 0
7 mol 20 unq 4 iso 0 dist 9.4228 6.09764 7.3057 8.96335 8.67928 4.74809 numMergedOcc 0
8 mol 20 unq 5 iso 0 dist 9.4228 9.20198 13.0142 8.96335 8.67928 5.86181 numMergedOcc 0
9 mol 27 unq 0 iso 0 dist 8.8018 9.52474 13.3658 6.35516 5.76475 11.1731 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 7.69401 7.80975 8.86956 4.86592 9.97663 5.75014 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 6.92671 7.80975 11.7384 6.12107 6.97739 12.71 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 6.92671 7.80975 11.7384 5.42531 8.4705 9.5057 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 6.16081 6.73586 6.65893 6.42402 7.84768 12.0976 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.75049 5.87634 5.21958 14.8102 8.966 8.95662 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 9.07173 6.73956 9.39191 9.81003 9.48378 15.0354 numMergedOcc 0
16 mol 182 unq 1 iso 0 dist 9.07173 7.09394 3.6277 9.81003 9.48378 11.1375 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 4.98125 7.29285 6.21429 4.51687 8.11761 10.334 numMergedOcc 0
18 mol 231 unq 0 iso 0 dist 7.31553 6.98875 6.90849 9.0443 8.68815 12.7246 numMergedOcc 0
19 mol 251 unq 0 iso 0 dist 9.207 8.68707 7.33882 12.5663 7.81441 14.5234 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 5.8473 7.6595 5.58975 6.93678 5.96512 11.1811 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 8.98154 9.85289 10.4158 5.29529 9.71673 6.88827 numMergedOcc 0
