0 mol 8 unq 0 iso 0 dist 8.33604 7.3915 11.705 12.4076 17.5554 6.82379 12.536 15.1208 8.64248 6.56356 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 7.685 5.81959 9.96732 10.6808 16.7035 6.90155 11.4732 16.2532 6.86525 4.79873 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 7.685 5.81959 9.96732 10.6808 16.7035 6.90155 17.8732 22.5115 13.7717 9.48085 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 7.06308 6.06454 5.94047 5.24762 6.34173 9.44459 11.5679 6.00679 10.7651 9.33906 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.70133 7.04044 11.2505 5.4148 4.65521 8.73253 12.2276 6.10063 10.9746 8.68662 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.70133 7.04044 11.2505 5.4148 4.65521 8.73253 9.73086 6.15714 7.8972 7.4369 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 4.65521 8.73253 11.2505 5.4148 8.70133 7.04044 7.4369 6.15714 7.8972 9.73086 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 7.13087 5.16364 5.69513 8.07446 13.6145 8.85586 5.61588 8.97361 5.50891 5.5087 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 7.13087 5.16364 5.69513 8.07446 13.6145 8.85586 7.83244 10.2983 4.75954 6.08682 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.20981 7.55384 5.94311 4.98336 5.87358 5.34214 11.8087 5.15674 6.8409 7.07971 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.6243 8.71039 8.15392 5.55373 12.5969 8.86329 10.0551 9.23774 5.30999 9.27976 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.79571 8.20836 9.65798 5.62899 13.0121 7.36779 7.21868 5.67107 4.935 9.66543 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 8.36117 7.62942 9.08602 10.7531 9.36654 6.60567 16.1768 12.7374 9.48862 7.41662 numMergedOcc 0
13 mol 195 unq 1 iso 0 dist 6.77578 7.62942 8.18628 10.7531 11.955 6.60567 16.1768 14.6112 9.48862 7.41662 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 8.53199 5.76954 8.21424 4.72474 12.0819 6.29367 7.33709 11.6662 6.57708 8.75536 numMergedOcc 0
15 mol 218 unq 1 iso 0 dist 8.53199 5.76954 8.21424 5.61978 13.6555 9.20961 7.33709 11.6662 6.57708 6.67404 numMergedOcc 0
16 mol 218 unq 2 iso 0 dist 8.53199 6.29511 10.1198 4.72474 12.0819 8.86175 7.33709 11.6662 13.4147 8.75536 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.62609 5.4694 5.23507 5.22356 13.4493 8.38865 6.91318 11.5454 7.3164 5.23634 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 8.17891 8.38865 5.92529 5.22356 6.95902 5.4694 5.23634 4.09934 7.3164 6.91318 numMergedOcc 0
19 mol 227 unq 2 iso 0 dist 6.95902 5.4694 5.92529 5.22356 8.17891 8.38865 6.91318 4.09934 7.3164 5.23634 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 6.25105 8.24186 13.0974 5.88703 7.85175 7.5366 11.6391 10.5304 11.0592 7.81215 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.68513 6.4398 6.48619 10.1648 9.29858 7.32982 11.1002 11.7938 13.0611 9.72188 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 9.29858 7.32982 6.48619 10.1648 9.68513 6.4398 12.7605 5.99163 6.22195 8.82351 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 9.90142 6.66971 5.8333 5.40359 5.9216 6.4398 11.1059 4.40419 6.22195 8.82351 numMergedOcc 0
24 mol 238 unq 3 iso 0 dist 9.90142 6.66971 5.8333 10.0191 10.7386 7.32982 14.4013 11.7709 13.0611 9.72188 numMergedOcc 0
25 mol 238 unq 4 iso 0 dist 5.9216 6.4398 5.8333 10.1648 10.7386 7.32982 11.1002 11.7709 13.0611 9.72188 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 6.77938 8.59697 12.1218 9.98105 14.5785 8.55558 6.9899 9.2872 7.32929 5.85442 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 6.77938 8.59697 12.1218 9.98105 14.5785 8.55558 10.4017 11.3692 9.55426 6.95511 numMergedOcc 0
28 mol 259 unq 2 iso 0 dist 7.76676 8.59697 9.22203 9.98105 10.4634 8.55558 6.9899 4.61451 7.32929 5.85442 numMergedOcc 0
29 mol 259 unq 3 iso 0 dist 7.76676 8.59697 9.22203 9.98105 10.4634 8.55558 10.4017 5.56602 9.55426 6.95511 numMergedOcc 0
