0 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 11.9621 12.2041 7.88043 8.75346 9.67164 8.0744 5.99459 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 13.8619 12.4076 6.82379 11.5556 12.536 8.64248 6.56356 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 6.44408 6.00386 5.78148 13.9678 10.8906 8.43325 12.8701 14.1711 9.75022 9.45635 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 6.23095 6.06832 5.81959 11.9439 10.6808 6.90155 10.0811 11.4732 6.86525 4.79873 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 6.23095 6.06832 5.81959 11.9439 10.6808 6.90155 19.7487 17.8732 13.7717 9.48085 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 9.17086 8.33667 9.93832 10.615 8.13395 8.60739 4.9903 6.6263 4.55347 6.75943 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.124 16.0036 8.73253 10.1112 5.4148 7.04044 15.2252 7.4369 7.8972 9.73086 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.16299 11.9686 8.85586 10.8051 8.07446 5.16364 16.1158 10.2939 5.56296 8.72682 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.16299 11.9686 8.85586 10.8051 8.07446 5.16364 6.40263 8.62198 6.69436 6.45841 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 8.16299 11.9686 8.85586 10.8051 8.07446 5.16364 6.52486 5.5087 5.50891 5.61588 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 8.16299 11.9686 8.85586 10.8051 8.07446 5.16364 10.9731 6.08682 4.75954 7.83244 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 8.27015 16.4476 8.85586 13.7608 8.07446 5.16364 17.0476 10.2939 5.56296 8.72682 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 8.27015 16.4476 8.85586 13.7608 8.07446 5.16364 15.3971 8.62198 6.69436 6.45841 numMergedOcc 0
13 mol 73 unq 7 iso 0 dist 8.27015 16.4476 8.85586 13.7608 8.07446 5.16364 13.0059 5.5087 5.50891 5.61588 numMergedOcc 0
14 mol 73 unq 8 iso 0 dist 8.27015 16.4476 8.85586 13.7608 8.07446 5.16364 14.1533 6.08682 4.75954 7.83244 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 9.45397 9.01694 7.55384 8.84523 4.98336 5.34214 10.5361 11.8087 6.8409 7.07971 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.62648 8.9683 8.56342 11.5266 4.85907 7.99857 12.6962 7.64052 6.29394 6.99446 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 9.47675 7.97183 7.86572 7.34465 6.21253 6.69515 11.1983 11.5913 5.25982 8.07097 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 8.3705 9.80071 7.62942 15.8199 10.7531 6.60567 18.1302 16.1768 9.48862 7.41662 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 4.851 11.3699 9.20961 9.89546 6.17651 6.29367 6.13691 6.67404 6.57708 8.75536 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 4.851 11.3699 9.20961 9.66527 5.61978 5.76954 6.13691 6.67404 6.57708 7.33709 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.60159 11.2986 8.38865 12.0857 5.22356 5.4694 5.19262 5.23634 7.3164 6.91318 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 5.67917 6.85179 6.66971 8.96639 5.40359 6.4398 9.54858 11.1059 6.22195 8.82351 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 5.67917 6.85179 6.66971 12.6253 10.0191 7.32982 18.6558 14.4013 13.0611 9.72188 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 8.96639 6.85179 6.4398 12.6253 10.1648 7.32982 18.6558 11.1002 13.0611 9.72188 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 6.8902 5.86656 6.14323 9.5903 4.92077 6.04162 9.58347 8.29262 5.82131 9.19754 numMergedOcc 0
