0 mol 7 unq 0 iso 0 dist 5.77374 9.30196 6.0323 10.9529 5.96526 8.05125 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.84857 8.57713 9.58865 12.9429 5.42241 8.40995 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 7.7568 5.49728 5.98359 11.532 4.23663 9.21102 numMergedOcc 0
3 mol 37 unq 1 iso 0 dist 7.7568 5.49728 5.98359 11.9792 8.49523 6.84257 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.34078 4.97125 9.35329 11.0324 8.49884 9.92079 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 5.58346 10.362 7.53504 10.2641 7.92924 5.68894 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 5.58346 10.362 7.53504 12.5369 8.30433 7.32265 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 9.10386 14.2654 7.02351 10.2641 5.4653 6.7939 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 9.10386 14.2654 7.02351 12.5369 4.63063 6.85356 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 9.10386 10.362 8.66342 10.2641 5.4653 5.68894 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 9.10386 10.362 8.66342 12.5369 4.63063 7.32265 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 9.78545 14.5223 6.95094 16.0536 11.341 5.68894 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 9.78545 14.5223 6.95094 12.1521 10.0459 7.32265 numMergedOcc 0
13 mol 73 unq 8 iso 0 dist 9.97998 11.7502 6.95094 12.9983 11.341 5.68894 numMergedOcc 0
14 mol 73 unq 9 iso 0 dist 9.97998 11.7502 6.95094 10.1371 10.0459 7.32265 numMergedOcc 0
15 mol 73 unq 10 iso 0 dist 9.66744 4.5646 7.53504 6.69184 7.92924 5.68894 numMergedOcc 0
16 mol 73 unq 11 iso 0 dist 9.66744 4.5646 7.53504 10.3418 8.30433 7.32265 numMergedOcc 0
17 mol 86 unq 0 iso 0 dist 8.70136 5.59145 9.64554 11.5605 10.2202 8.42594 numMergedOcc 0
18 mol 86 unq 1 iso 0 dist 7.53441 5.2597 9.64554 11.918 10.2202 8.42594 numMergedOcc 0
19 mol 90 unq 0 iso 0 dist 9.28585 10.156 8.6308 13.0735 5.12529 7.94379 numMergedOcc 0
20 mol 99 unq 0 iso 0 dist 5.33644 5.36117 8.23566 10.2546 12.5118 9.39801 numMergedOcc 0
21 mol 99 unq 1 iso 0 dist 5.33644 5.36117 8.23566 5.61946 4.74328 4.82346 numMergedOcc 0
22 mol 99 unq 2 iso 0 dist 5.33644 5.36117 8.23566 9.4431 6.55763 8.89165 numMergedOcc 0
23 mol 101 unq 0 iso 0 dist 5.5199 5.2394 5.51185 9.83562 4.84084 7.11476 numMergedOcc 0
24 mol 124 unq 0 iso 0 dist 7.83509 8.00585 5.61764 11.7109 5.26643 8.03603 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 8.89412 10.3282 7.8034 13.2933 9.45822 9.14809 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 8.89412 10.3282 7.8034 16.1271 10.1774 6.45169 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 9.63488 7.55155 6.89564 12.2067 5.32245 9.82274 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 9.31907 10.3667 6.89564 5.84909 5.32245 9.82274 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 9.49104 12.0027 9.21999 15.9043 10.6104 6.00896 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 9.76275 9.43849 7.99446 10.7371 8.8525 9.54774 numMergedOcc 0
31 mol 180 unq 0 iso 0 dist 8.24157 5.76764 6.83301 9.3777 5.63195 8.2817 numMergedOcc 0
32 mol 183 unq 0 iso 0 dist 7.38821 8.72592 9.82833 11.0442 9.01399 9.84649 numMergedOcc 0
33 mol 192 unq 0 iso 0 dist 7.252 9.99333 7.72242 9.78743 5.21255 5.83093 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 9.32657 14.0402 8.21112 16.8743 8.82544 6.02053 numMergedOcc 0
35 mol 205 unq 1 iso 0 dist 9.32657 11.0093 7.06533 16.8743 8.82544 7.41663 numMergedOcc 0
36 mol 205 unq 2 iso 0 dist 9.32657 7.30488 5.94835 11.828 5.16703 7.09439 numMergedOcc 0
37 mol 205 unq 3 iso 0 dist 6.21409 7.30488 6.76947 11.828 6.81258 7.09439 numMergedOcc 0
38 mol 211 unq 0 iso 0 dist 7.38723 9.3095 9.45365 16.2212 13.6185 8.66183 numMergedOcc 0
39 mol 218 unq 0 iso 0 dist 6.2441 6.7488 5.98076 11.6868 10.7072 9.11823 numMergedOcc 0
40 mol 226 unq 0 iso 0 dist 8.10096 12.8829 9.05082 10.7844 12.3913 8.24741 numMergedOcc 0
41 mol 230 unq 0 iso 0 dist 6.61442 6.22182 5.00735 10.4744 4.85368 9.32781 numMergedOcc 0
42 mol 230 unq 1 iso 0 dist 6.61442 12.0815 9.27643 10.4744 4.85368 7.66323 numMergedOcc 0
43 mol 230 unq 2 iso 0 dist 7.10283 5.18766 5.00735 10.321 4.85368 9.32781 numMergedOcc 0
44 mol 230 unq 3 iso 0 dist 7.10283 9.15352 9.27643 10.321 4.85368 7.66323 numMergedOcc 0
45 mol 239 unq 0 iso 0 dist 8.68803 4.53635 8.01565 4.53228 5.94643 7.10828 numMergedOcc 0
46 mol 252 unq 0 iso 0 dist 8.63848 9.75362 7.74647 10.5035 7.39139 4.91772 numMergedOcc 0
47 mol 256 unq 0 iso 0 dist 9.37687 4.19031 8.11884 9.99628 10.2154 9.92947 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 9.30018 4.54952 5.96276 12.9294 7.53628 9.78704 numMergedOcc 0
49 mol 270 unq 0 iso 0 dist 6.72681 9.8347 7.65449 11.0341 5.64329 6.32507 numMergedOcc 0
