0 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 8.75346 9.67164 8.0744 11.9621 12.2041 7.88043 5.99459 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.23095 6.06832 5.81959 11.9503 7.6114 11.4877 11.9439 10.6808 6.90155 16.617 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.17086 8.33667 9.93832 4.9903 6.6263 4.55347 10.615 8.13395 8.60739 6.75943 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.124 16.0036 8.73253 15.7072 8.68662 10.9746 10.1112 5.4148 7.04044 12.2276 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.124 16.0036 8.73253 15.2252 7.4369 7.8972 10.1112 5.4148 7.04044 9.73086 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.16299 11.9686 8.85586 6.52486 5.5087 5.50891 10.8051 8.07446 5.16364 5.61588 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.16299 11.9686 8.85586 10.9731 6.08682 4.75954 10.8051 8.07446 5.16364 7.83244 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.27015 16.4476 8.85586 13.0059 5.5087 5.50891 13.7608 8.07446 5.16364 5.61588 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 8.27015 16.4476 8.85586 14.1533 6.08682 4.75954 13.7608 8.07446 5.16364 7.83244 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.84523 9.01694 5.34214 10.5361 7.07971 6.8409 9.45397 4.98336 7.55384 11.8087 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.62648 8.9683 8.56342 12.6962 7.64052 6.29394 11.5266 4.85907 7.99857 6.99446 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.33945 11.8905 8.86329 9.88758 9.27976 5.30999 14.2573 5.55373 8.71039 10.0551 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 7.34465 7.97183 6.69515 11.1983 8.07097 5.25982 9.47675 6.21253 7.86572 11.5913 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 8.3705 9.80071 7.62942 4.29894 9.03441 8.89297 15.8199 10.7531 6.60567 14.2497 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 4.851 11.3699 9.20961 6.13691 6.67404 6.57708 9.89546 6.17651 6.29367 8.75536 numMergedOcc 0
15 mol 218 unq 1 iso 0 dist 4.851 11.3699 9.20961 6.13691 6.67404 6.57708 9.66527 5.61978 5.76954 7.33709 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 9.60159 11.2986 8.38865 5.19262 5.23634 7.3164 12.0857 5.22356 5.4694 6.91318 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 8.96639 6.85179 6.4398 9.54858 8.82351 6.22195 5.67917 5.40359 6.66971 11.1059 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 8.96639 6.85179 6.4398 9.54858 8.82351 6.22195 12.6253 10.1648 7.32982 12.7605 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 6.8902 5.86656 6.14323 9.58347 8.29262 5.82131 9.5903 4.92077 6.04162 9.19754 numMergedOcc 0
