0 mol 7 unq 0 iso 0 dist 9.8603 9.33944 6.22805 14.6665 7.10621 6.96396 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.89666 5.25951 9.23212 4.73237 4.61088 7.86896 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 5.95165 5.51164 6.40513 3.77561 4.61088 5.9863 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 8.13983 5.06934 8.91266 5.63648 6.38364 4.15151 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 6.45858 6.35274 8.91266 4.05028 6.38364 4.15151 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.6396 16.5953 8.23292 5.8503 5.04899 12.4427 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 7.10899 11.042 6.85305 10.8741 9.24927 4.70723 numMergedOcc 0
7 mol 41 unq 0 iso 0 dist 5.41493 6.07784 4.68793 5.09229 6.19529 5.72331 numMergedOcc 0
8 mol 51 unq 0 iso 0 dist 7.12423 10.8401 9.06397 13.6102 9.0709 12.8917 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 8.05508 6.07398 9.05547 5.34079 6.85766 6.34748 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 8.99491 11.1165 9.10915 4.96726 9.67592 9.73304 numMergedOcc 0
11 mol 64 unq 1 iso 0 dist 8.99491 13.6507 8.66921 4.96726 9.67592 10.8918 numMergedOcc 0
12 mol 64 unq 2 iso 0 dist 8.99491 7.89444 5.54343 4.96726 9.67592 5.59762 numMergedOcc 0
13 mol 71 unq 0 iso 0 dist 8.85372 13.9588 8.21553 9.64576 7.38797 5.87956 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 8.2377 7.98579 4.24428 4.99283 5.93252 6.58444 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 6.18305 7.53682 6.30194 4.69583 6.19304 10.5627 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 6.4551 4.00834 4.83274 8.78063 6.97941 10.2219 numMergedOcc 0
17 mol 76 unq 1 iso 0 dist 6.4551 9.6911 7.89214 8.78063 6.97941 7.74851 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 9.65047 15.0981 9.40559 5.33325 7.27724 13.018 numMergedOcc 0
19 mol 95 unq 1 iso 0 dist 9.65047 15.0981 9.40559 5.69671 8.03644 11.8978 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 7.15985 9.87475 5.81552 6.68714 9.60462 10.626 numMergedOcc 0
21 mol 112 unq 1 iso 0 dist 7.15985 9.87475 5.81552 6.71889 7.45389 5.27363 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 9.35868 5.58465 7.44784 8.25001 7.30858 7.64822 numMergedOcc 0
23 mol 115 unq 1 iso 0 dist 4.98864 9.35695 9.56867 6.59772 6.11741 9.97256 numMergedOcc 0
24 mol 115 unq 2 iso 0 dist 4.98864 9.35695 9.56867 10.9437 7.88312 7.64822 numMergedOcc 0
25 mol 115 unq 3 iso 0 dist 7.95871 11.703 9.56867 4.86477 6.11741 9.97256 numMergedOcc 0
26 mol 115 unq 4 iso 0 dist 7.95871 11.703 9.56867 12.0354 7.88312 7.64822 numMergedOcc 0
27 mol 127 unq 0 iso 0 dist 9.42513 4.42983 7.73139 8.60326 9.30299 11.0785 numMergedOcc 0
28 mol 127 unq 1 iso 0 dist 9.42513 9.88569 6.66607 8.60326 9.30299 8.89539 numMergedOcc 0
29 mol 127 unq 2 iso 0 dist 9.42513 5.88232 8.62711 8.60326 9.30299 10.345 numMergedOcc 0
30 mol 130 unq 0 iso 0 dist 5.49877 7.43279 9.05626 3.96103 8.70949 7.09664 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 9.60411 10.6313 5.67862 10.5108 6.37586 9.52819 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 9.60411 10.6313 5.67862 6.20443 9.71307 12.4156 numMergedOcc 0
33 mol 143 unq 0 iso 0 dist 8.30654 11.7934 7.5984 11.3469 5.99315 5.11989 numMergedOcc 0
34 mol 155 unq 0 iso 0 dist 6.7973 6.12669 7.28355 5.01118 6.23493 4.8645 numMergedOcc 0
35 mol 167 unq 0 iso 0 dist 5.59806 5.30254 7.83781 8.66436 9.87651 6.43506 numMergedOcc 0
36 mol 206 unq 0 iso 0 dist 9.36079 14.2215 8.73396 13.6173 7.7366 6.35321 numMergedOcc 0
37 mol 206 unq 1 iso 0 dist 7.42904 11.233 8.73396 9.96254 7.7366 6.35321 numMergedOcc 0
38 mol 210 unq 0 iso 0 dist 8.62103 14.9127 8.07523 3.84723 6.18308 13.3929 numMergedOcc 0
39 mol 210 unq 1 iso 0 dist 8.62103 14.823 7.56882 3.84723 6.18308 12.3088 numMergedOcc 0
40 mol 214 unq 0 iso 0 dist 9.51764 18.2005 9.40003 6.28065 9.65138 16.5528 numMergedOcc 0
41 mol 214 unq 1 iso 0 dist 9.51764 18.2005 9.40003 11.2159 7.14453 9.11345 numMergedOcc 0
42 mol 214 unq 2 iso 0 dist 9.51764 18.2005 9.40003 6.53326 8.85478 16.922 numMergedOcc 0
43 mol 214 unq 3 iso 0 dist 9.51764 4.74203 8.68385 6.28065 9.65138 10.2443 numMergedOcc 0
44 mol 214 unq 4 iso 0 dist 9.51764 4.74203 8.68385 11.2159 7.14453 12.5421 numMergedOcc 0
45 mol 214 unq 5 iso 0 dist 9.51764 4.74203 8.68385 6.53326 8.85478 9.18071 numMergedOcc 0
46 mol 214 unq 6 iso 0 dist 5.36829 4.87713 9.40003 11.7583 9.65138 16.5528 numMergedOcc 0
47 mol 214 unq 7 iso 0 dist 5.36829 4.87713 9.40003 4.98764 7.14453 9.11345 numMergedOcc 0
48 mol 214 unq 8 iso 0 dist 5.36829 4.87713 9.40003 12.3481 8.85478 16.922 numMergedOcc 0
49 mol 214 unq 9 iso 0 dist 5.36829 13.4762 8.68385 11.7583 9.65138 10.2443 numMergedOcc 0
50 mol 214 unq 10 iso 0 dist 5.36829 13.4762 8.68385 4.98764 7.14453 12.5421 numMergedOcc 0
51 mol 214 unq 11 iso 0 dist 5.36829 13.4762 8.68385 12.3481 8.85478 9.18071 numMergedOcc 0
52 mol 222 unq 0 iso 0 dist 9.55777 12.6689 8.69148 6.54251 8.01589 6.52189 numMergedOcc 0
53 mol 222 unq 1 iso 0 dist 9.55777 12.6689 8.69148 15.3892 7.7699 5.33282 numMergedOcc 0
54 mol 222 unq 2 iso 0 dist 9.55777 12.6689 8.69148 16.4881 7.21333 9.97859 numMergedOcc 0
55 mol 229 unq 0 iso 0 dist 5.57702 5.17118 8.0007 6.21233 9.87838 5.29674 numMergedOcc 0
56 mol 236 unq 0 iso 0 dist 9.05929 6.0905 6.73134 4.32403 8.04248 5.52669 numMergedOcc 0
57 mol 236 unq 1 iso 0 dist 9.05929 6.0905 6.73134 4.38595 8.35971 5.27568 numMergedOcc 0
58 mol 236 unq 2 iso 0 dist 8.90987 7.84468 9.97357 5.26654 8.03456 8.3919 numMergedOcc 0
59 mol 236 unq 3 iso 0 dist 8.90987 7.84468 9.97357 3.82437 6.84306 4.88785 numMergedOcc 0
60 mol 236 unq 4 iso 0 dist 8.90987 7.84468 9.97357 13.8124 9.99038 10.2557 numMergedOcc 0
61 mol 236 unq 5 iso 0 dist 8.90987 7.84468 9.97357 11.2846 9.78037 14.6755 numMergedOcc 0
62 mol 236 unq 6 iso 0 dist 8.90987 7.84468 9.97357 16.8883 8.35971 16.5918 numMergedOcc 0
63 mol 238 unq 0 iso 0 dist 9.94315 15.8036 7.98022 12.521 5.72887 6.3873 numMergedOcc 0
64 mol 238 unq 1 iso 0 dist 8.59074 12.1988 7.98022 9.18011 5.72887 6.3873 numMergedOcc 0
65 mol 238 unq 2 iso 0 dist 6.2365 6.12122 7.98022 4.7157 5.72887 6.3873 numMergedOcc 0
66 mol 241 unq 0 iso 0 dist 8.40773 4.84498 6.40592 6.72492 7.4631 7.93809 numMergedOcc 0
67 mol 241 unq 1 iso 0 dist 9.18476 6.70277 6.40592 9.87799 7.4631 7.93809 numMergedOcc 0
68 mol 253 unq 0 iso 0 dist 5.89502 7.60327 8.53729 9.25001 9.02271 16.1265 numMergedOcc 0
69 mol 253 unq 1 iso 0 dist 5.89502 9.90493 8.07341 9.25001 9.02271 16.581 numMergedOcc 0
70 mol 253 unq 2 iso 0 dist 7.15815 13.127 8.53729 4.93871 9.02271 16.1265 numMergedOcc 0
71 mol 253 unq 3 iso 0 dist 7.15815 14.7487 8.07341 4.93871 9.02271 16.581 numMergedOcc 0
72 mol 256 unq 0 iso 0 dist 7.67598 6.78978 8.43264 8.99993 8.29103 6.19628 numMergedOcc 0
73 mol 259 unq 0 iso 0 dist 8.06771 5.73217 6.96379 6.64729 8.13497 10.908 numMergedOcc 0
74 mol 259 unq 1 iso 0 dist 8.06771 5.73217 6.96379 9.79538 7.88519 12.7595 numMergedOcc 0
75 mol 261 unq 0 iso 0 dist 9.73983 11.7215 8.50313 4.49913 8.45658 13.3163 numMergedOcc 0
76 mol 261 unq 1 iso 0 dist 9.73983 13.4973 7.6414 4.49913 8.45658 13.6041 numMergedOcc 0
77 mol 265 unq 0 iso 0 dist 9.772 9.91968 7.54805 5.75478 8.4218 12.5953 numMergedOcc 0
78 mol 272 unq 0 iso 0 dist 9.96394 12.1122 4.78812 11.5918 8.33638 5.27123 numMergedOcc 0
79 mol 279 unq 0 iso 0 dist 7.74162 6.05412 5.17586 9.5773 9.70696 5.9229 numMergedOcc 0
