0 mol 11 unq 0 iso 0 dist 6.49709 5.51815 4.61088 6.20956 4.73237 6.89666 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.28341 5.58255 6.38364 11.467 5.63648 8.13983 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 9.28341 5.58255 6.38364 8.31896 4.05028 6.45858 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.94828 15.6642 7.17969 12.2829 5.59268 8.88413 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 6.67213 6.57102 9.0709 12.7201 13.6102 7.12423 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 5.50504 7.62418 6.65721 10.7324 6.16737 9.22002 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 5.50504 6.53977 6.72123 10.7324 6.16737 7.52103 numMergedOcc 0
7 mol 61 unq 2 iso 0 dist 5.50504 6.53977 6.72123 6.01552 4.90701 8.46556 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 9.56181 7.70414 9.67592 6.48746 4.96726 8.99491 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 17.675 9.21014 6.58793 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 6.82522 5.33325 9.65047 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 6.86713 9.70895 8.03644 9.89353 5.69671 9.65047 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 9.23803 6.32175 8.58044 5.93206 4.93112 8.73648 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 8.05028 6.32175 9.97763 5.93206 4.48038 8.73648 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.70016 13.2553 5.86073 12.6644 4.36935 8.89481 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 8.66715 14.0905 7.11802 12.5406 6.26797 5.86531 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 9.00172 14.0905 8.00618 12.5406 9.73435 5.86531 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 8.95433 11.0811 7.11802 13.6484 6.26797 5.86531 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 5.79157 13.0109 9.86662 11.4524 6.20443 9.92932 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 5.79157 13.0109 9.86662 8.49649 6.36794 9.55556 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 5.79157 14.1608 9.71307 11.4524 6.20443 9.60411 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 15.5526 11.3469 8.30654 numMergedOcc 0
22 mol 196 unq 0 iso 0 dist 9.79271 4.07683 9.62191 6.28071 4.59462 6.87731 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 10.1878 5.87892 5.96555 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 8.57514 12.397 7.45763 12.7057 4.2475 6.752 numMergedOcc 0
25 mol 205 unq 2 iso 0 dist 8.57514 12.397 7.45763 14.4031 6.8901 5.4913 numMergedOcc 0
26 mol 205 unq 3 iso 0 dist 6.11505 11.3225 7.45763 9.86224 4.2475 6.752 numMergedOcc 0
27 mol 205 unq 4 iso 0 dist 6.11505 11.3225 7.45763 12.7533 6.8901 5.4913 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 8.58471 10.3518 6.18308 11.8094 3.84723 8.62103 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 9.43611 11.2069 8.82096 10.3158 4.55245 4.84709 numMergedOcc 0
30 mol 229 unq 0 iso 0 dist 6.32302 6.52416 8.22528 12.18 8.65216 8.6537 numMergedOcc 0
31 mol 229 unq 1 iso 0 dist 6.88694 6.52416 7.03423 12.18 10.7439 8.6537 numMergedOcc 0
32 mol 229 unq 2 iso 0 dist 8.53615 6.81165 8.22528 4.38586 8.65216 8.6537 numMergedOcc 0
33 mol 231 unq 0 iso 0 dist 6.02527 7.6832 8.40182 12.2694 8.55683 8.01942 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 12.0485 9.60401 9.29752 numMergedOcc 0
35 mol 235 unq 0 iso 0 dist 6.45574 6.70342 5.4638 6.91126 6.84447 9.11256 numMergedOcc 0
36 mol 235 unq 1 iso 0 dist 6.45574 6.70342 5.4638 9.48967 7.38431 7.08539 numMergedOcc 0
37 mol 235 unq 2 iso 0 dist 8.14407 6.01036 5.4638 11.4657 6.84447 9.11256 numMergedOcc 0
38 mol 235 unq 3 iso 0 dist 8.14407 6.01036 5.4638 6.43002 7.38431 7.08539 numMergedOcc 0
39 mol 235 unq 4 iso 0 dist 7.8128 5.49043 5.4638 11.9334 5.23741 8.48065 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 5.77925 8.93012 6.84306 6.79115 4.38595 9.89665 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 5.77925 12.1686 9.99038 15.2153 11.2013 5.66569 numMergedOcc 0
42 mol 236 unq 2 iso 0 dist 5.77925 12.1686 9.99038 18.1054 15.1664 6.11137 numMergedOcc 0
43 mol 236 unq 3 iso 0 dist 5.77925 10.5925 8.35971 6.79115 4.38595 9.05929 numMergedOcc 0
44 mol 236 unq 4 iso 0 dist 8.95071 18.4732 9.99038 19.6342 13.8124 8.90987 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 9.39537 9.53107 6.57393 16.4805 10.3859 9.13537 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 8.97461 10.4685 6.22714 19.6371 12.2428 9.66555 numMergedOcc 0
47 mol 238 unq 2 iso 0 dist 8.97461 10.4685 6.22714 16.7943 8.66185 8.67205 numMergedOcc 0
48 mol 241 unq 0 iso 0 dist 8.23536 5.50714 7.4631 12.5052 6.72492 8.40773 numMergedOcc 0
49 mol 241 unq 1 iso 0 dist 8.23536 5.50714 7.4631 11.2123 9.87799 9.18476 numMergedOcc 0
50 mol 241 unq 2 iso 0 dist 6.90245 5.3674 7.4631 5.66945 6.72492 8.40773 numMergedOcc 0
51 mol 241 unq 3 iso 0 dist 6.90245 5.3674 7.4631 12.4569 9.87799 9.18476 numMergedOcc 0
52 mol 249 unq 0 iso 0 dist 7.79723 4.24754 7.57994 9.35597 9.07501 6.37672 numMergedOcc 0
53 mol 249 unq 1 iso 0 dist 7.79723 4.24754 7.57994 12.3774 9.53929 8.94023 numMergedOcc 0
54 mol 249 unq 2 iso 0 dist 8.14526 4.24754 6.18582 9.35597 4.24014 6.37672 numMergedOcc 0
55 mol 249 unq 3 iso 0 dist 8.14526 4.24754 6.18582 12.3774 5.36989 8.94023 numMergedOcc 0
56 mol 258 unq 0 iso 0 dist 9.2067 9.88911 6.42289 14.5631 7.52881 5.73834 numMergedOcc 0
57 mol 261 unq 0 iso 0 dist 9.80409 4.63237 9.14619 8.07113 4.49913 8.65236 numMergedOcc 0
58 mol 261 unq 1 iso 0 dist 9.80409 6.39263 8.45658 8.07113 4.49913 9.73983 numMergedOcc 0
59 mol 264 unq 0 iso 0 dist 7.37999 11.0659 6.24356 10.875 3.93713 8.19504 numMergedOcc 0
60 mol 264 unq 1 iso 0 dist 7.36703 5.91731 6.24356 11.0689 3.93713 8.19504 numMergedOcc 0
61 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 11.0807 5.9882 9.71801 numMergedOcc 0
