0 mol 34 unq 0 iso 0 dist 6.87871 14.5506 7.78892 8.95909 9.24927 13.4993 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.74445 8.75469 8.03754 10.323 8.80331 14.0204 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.74445 8.75469 8.03754 14.445 6.20293 13.1056 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 5.83937 7.3676 7.15352 6.62193 6.65595 9.28444 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 5.83937 7.3676 7.15352 10.9885 9.25011 11.0491 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 5.83937 7.3676 7.15352 9.96073 6.43294 4.80738 numMergedOcc 0
6 mol 60 unq 3 iso 0 dist 5.83937 7.3676 7.15352 11.2445 8.52121 6.28337 numMergedOcc 0
7 mol 60 unq 4 iso 0 dist 8.82095 13.8836 7.15352 5.63638 6.65595 9.28444 numMergedOcc 0
8 mol 60 unq 5 iso 0 dist 8.82095 13.8836 7.15352 5.95814 9.25011 11.0491 numMergedOcc 0
9 mol 60 unq 6 iso 0 dist 8.82095 13.8836 7.15352 13.6099 6.43294 4.80738 numMergedOcc 0
10 mol 60 unq 7 iso 0 dist 8.82095 13.8836 7.15352 12.0142 8.52121 6.28337 numMergedOcc 0
11 mol 60 unq 8 iso 0 dist 6.27749 6.02523 7.7654 5.63638 8.90863 9.47656 numMergedOcc 0
12 mol 61 unq 0 iso 0 dist 9.62468 12.9303 8.44473 10.7369 6.65721 11.2947 numMergedOcc 0
13 mol 61 unq 1 iso 0 dist 9.62468 12.9303 8.44473 11.5608 6.72123 4.78811 numMergedOcc 0
14 mol 61 unq 2 iso 0 dist 5.92705 13.2942 8.44473 5.4671 6.65721 11.2947 numMergedOcc 0
15 mol 61 unq 3 iso 0 dist 5.92705 13.2942 8.44473 10.1513 6.72123 4.78811 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 6.89722 7.92924 7.23812 10.4716 9.96396 12.8453 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 6.89722 7.92924 7.23812 5.2774 6.19304 9.59988 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 6.89722 7.92924 7.23812 13.9156 8.70481 7.80518 numMergedOcc 0
19 mol 73 unq 3 iso 0 dist 7.26679 5.4653 7.23812 8.31041 9.96396 12.8453 numMergedOcc 0
20 mol 73 unq 4 iso 0 dist 7.26679 5.4653 7.23812 5.44275 6.19304 9.59988 numMergedOcc 0
21 mol 73 unq 5 iso 0 dist 7.26679 5.4653 7.23812 11.2674 8.70481 7.80518 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 6.85381 5.46269 9.90769 12.5148 9.60462 13.4578 numMergedOcc 0
23 mol 112 unq 1 iso 0 dist 6.85381 5.46269 9.90769 6.38057 7.45389 6.69178 numMergedOcc 0
24 mol 122 unq 0 iso 0 dist 8.33083 13.1171 8.75778 12.4383 8.37808 9.00329 numMergedOcc 0
25 mol 129 unq 0 iso 0 dist 6.29026 5.06265 8.00624 11.5533 8.54584 15.4586 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 9.10619 7.53439 8.41774 9.66339 8.56324 13.1435 numMergedOcc 0
27 mol 152 unq 1 iso 0 dist 9.10619 7.53439 8.41774 13.9994 6.70283 13.793 numMergedOcc 0
28 mol 152 unq 2 iso 0 dist 9.10619 7.53439 8.41774 14.2552 7.16148 11.2124 numMergedOcc 0
29 mol 178 unq 0 iso 0 dist 8.0974 11.7183 9.63185 12.2822 6.69288 14.4816 numMergedOcc 0
30 mol 178 unq 1 iso 0 dist 8.0974 11.7183 9.63185 12.4338 6.43573 10.2893 numMergedOcc 0
31 mol 178 unq 2 iso 0 dist 8.0974 11.7183 9.63185 13.9722 7.17202 9.7684 numMergedOcc 0
32 mol 178 unq 3 iso 0 dist 8.0974 11.7183 9.63185 13.5599 8.81551 5.37264 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 8.43584 13.7406 6.94789 12.4616 9.61492 6.98812 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 8.43584 13.7406 6.94789 10.6123 7.45763 12.019 numMergedOcc 0
35 mol 205 unq 2 iso 0 dist 8.43584 8.05429 6.23932 12.4616 9.61492 13.4557 numMergedOcc 0
36 mol 205 unq 3 iso 0 dist 8.43584 8.05429 6.23932 10.6123 7.45763 4.37383 numMergedOcc 0
37 mol 210 unq 0 iso 0 dist 9.67457 5.02037 6.13878 5.82028 6.18308 5.4508 numMergedOcc 0
38 mol 214 unq 0 iso 0 dist 8.49704 17.1631 9.92165 12.4611 9.65138 10.1227 numMergedOcc 0
39 mol 214 unq 1 iso 0 dist 8.49704 17.1631 9.92165 11.832 7.14453 6.83063 numMergedOcc 0
40 mol 214 unq 2 iso 0 dist 8.49704 17.1631 9.92165 10.644 8.85478 12.7439 numMergedOcc 0
41 mol 220 unq 0 iso 0 dist 7.31105 10.1832 5.39218 14.6296 9.23153 13.3213 numMergedOcc 0
42 mol 220 unq 1 iso 0 dist 7.31105 10.1832 5.39218 9.52692 8.24498 11.4842 numMergedOcc 0
43 mol 222 unq 0 iso 0 dist 8.7347 13.6797 6.77368 8.81265 6.00706 8.47937 numMergedOcc 0
44 mol 222 unq 1 iso 0 dist 8.7347 13.6797 6.77368 4.28891 7.54212 10.4837 numMergedOcc 0
45 mol 222 unq 2 iso 0 dist 8.7347 9.50337 7.73634 8.81265 6.00706 4.81992 numMergedOcc 0
46 mol 222 unq 3 iso 0 dist 8.7347 9.50337 7.73634 4.28891 7.54212 9.69122 numMergedOcc 0
47 mol 224 unq 0 iso 0 dist 6.56437 11.5364 7.49783 14.2632 8.95269 12.8561 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 6.23882 6.88745 7.49783 15.0038 8.95269 12.8561 numMergedOcc 0
49 mol 224 unq 2 iso 0 dist 9.53131 12.1666 7.49783 9.59595 8.95269 12.8561 numMergedOcc 0
50 mol 224 unq 3 iso 0 dist 9.34636 9.9943 7.49783 5.63485 8.95269 12.8561 numMergedOcc 0
51 mol 224 unq 4 iso 0 dist 7.39839 5.8656 8.80858 7.65225 6.65832 4.46743 numMergedOcc 0
52 mol 224 unq 5 iso 0 dist 7.39839 5.8656 8.80858 4.91322 6.60589 4.93626 numMergedOcc 0
53 mol 224 unq 6 iso 0 dist 7.39839 5.8656 8.80858 12.979 9.16166 11.8641 numMergedOcc 0
54 mol 236 unq 0 iso 0 dist 9.10613 8.3795 9.44496 6.0258 8.04248 7.41812 numMergedOcc 0
55 mol 248 unq 0 iso 0 dist 7.66519 4.13513 8.98788 6.42363 9.56569 9.01779 numMergedOcc 0
56 mol 249 unq 0 iso 0 dist 7.29898 10.254 6.26142 6.6173 7.57994 5.59015 numMergedOcc 0
57 mol 249 unq 1 iso 0 dist 7.29898 10.254 6.26142 8.95486 6.18582 4.77325 numMergedOcc 0
58 mol 249 unq 2 iso 0 dist 8.91685 8.81984 6.26142 5.25611 7.57994 5.59015 numMergedOcc 0
59 mol 249 unq 3 iso 0 dist 8.91685 8.81984 6.26142 9.66184 6.18582 4.77325 numMergedOcc 0
60 mol 258 unq 0 iso 0 dist 5.81927 5.00751 7.69358 9.49027 6.97229 9.80642 numMergedOcc 0
61 mol 258 unq 1 iso 0 dist 8.58088 5.27718 9.04358 10.221 6.60405 8.81588 numMergedOcc 0
62 mol 258 unq 2 iso 0 dist 8.58088 5.27718 9.04358 9.22664 6.42289 5.90131 numMergedOcc 0
63 mol 277 unq 0 iso 0 dist 6.90434 5.95045 4.81916 13.2927 9.7748 7.94155 numMergedOcc 0
64 mol 279 unq 0 iso 0 dist 8.13489 12.9291 9.24472 5.51096 9.70696 13.0364 numMergedOcc 0
65 mol 280 unq 0 iso 0 dist 8.85762 11.4101 7.96485 4.95798 6.0664 8.26589 numMergedOcc 0
66 mol 282 unq 0 iso 0 dist 5.67266 8.78407 7.71088 9.63727 8.04483 5.86383 numMergedOcc 0
67 mol 282 unq 1 iso 0 dist 5.67266 8.78407 7.71088 4.58403 8.76532 11.2986 numMergedOcc 0
68 mol 282 unq 2 iso 0 dist 5.67266 8.78407 7.71088 5.04235 6.33524 7.46064 numMergedOcc 0
69 mol 282 unq 3 iso 0 dist 5.80981 5.33059 7.71088 9.60898 8.04483 5.86383 numMergedOcc 0
70 mol 282 unq 4 iso 0 dist 5.80981 5.33059 7.71088 10.5698 8.76532 11.2986 numMergedOcc 0
71 mol 282 unq 5 iso 0 dist 5.80981 5.33059 7.71088 8.37652 6.33524 7.46064 numMergedOcc 0
72 mol 282 unq 6 iso 0 dist 9.63346 9.73996 7.71088 4.85461 8.04483 5.86383 numMergedOcc 0
73 mol 282 unq 7 iso 0 dist 9.63346 9.73996 7.71088 13.108 8.76532 11.2986 numMergedOcc 0
74 mol 282 unq 8 iso 0 dist 9.63346 9.73996 7.71088 8.85797 6.33524 7.46064 numMergedOcc 0
