0 mol 7 unq 0 iso 0 dist 8.75465 15.0884 9.87885 17.9527 10.1841 9.68596 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 7.5136 6.5268 5.93898 13.2376 6.17993 9.06424 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.48944 14.0586 7.27472 16.1592 10.4353 9.12854 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.04448 9.67461 5.68215 16.1592 13.7009 8.70827 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.04448 9.67461 5.68215 10.9795 4.08755 6.73939 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.6834 13.4994 7.95042 10.9795 10.0453 9.41441 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 9.23015 10.7149 7.05196 12.0615 3.904 8.87757 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 6.94712 5.40129 7.16132 10.6943 7.06251 7.07339 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 6.94712 5.40129 7.16132 9.46449 3.81228 7.23317 numMergedOcc 0
9 mol 56 unq 0 iso 0 dist 8.15039 7.70367 9.03564 13.5131 9.76482 7.16773 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 7.21134 10.6174 6.9362 9.71247 5.1678 9.97775 numMergedOcc 0
11 mol 69 unq 1 iso 0 dist 7.40698 5.6966 6.9362 12.3217 5.1678 9.97775 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.57607 4.16047 8.27883 8.4204 15.7954 9.49454 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 6.1991 4.16047 5.75428 8.4204 10.4348 9.49454 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 5.96246 4.16047 8.57395 8.4204 5.88327 9.49454 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.91797 15.3018 9.64383 17.9909 12.82 7.23884 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.91797 9.41666 7.54889 5.21813 3.92737 4.47349 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 5.91797 9.57791 7.78931 5.21813 3.92737 5.65185 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 6.37954 5.90686 5.10496 5.21813 3.94967 6.7117 numMergedOcc 0
19 mol 98 unq 4 iso 0 dist 6.37954 9.41666 5.2571 5.21813 3.94967 4.47349 numMergedOcc 0
20 mol 98 unq 5 iso 0 dist 6.37954 9.57791 8.7497 5.21813 3.94967 5.65185 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 5.32773 12.9469 8.80934 8.49444 7.1951 8.8822 numMergedOcc 0
22 mol 113 unq 1 iso 0 dist 5.32773 12.9469 8.80934 5.55446 3.84573 9.66219 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 7.76446 10.4858 9.1998 6.08299 11.5269 9.94764 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 6.14652 7.07625 9.33094 6.08299 6.93712 6.23142 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 6.14652 10.4858 8.69531 6.08299 6.93712 9.94764 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 8.33147 4.59843 8.97589 6.71675 3.7949 6.42735 numMergedOcc 0
27 mol 184 unq 1 iso 0 dist 8.09403 4.59843 5.96423 6.71675 4.67256 6.42735 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 6.04336 6.13422 7.05695 6.19189 3.78314 7.76163 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 9.00537 9.40374 6.61112 6.19189 4.03697 8.73217 numMergedOcc 0
30 mol 186 unq 2 iso 0 dist 8.9388 12.4751 6.61112 8.34668 4.03697 8.73217 numMergedOcc 0
31 mol 195 unq 0 iso 0 dist 8.08491 4.98231 7.41662 11.3628 8.90504 7.36683 numMergedOcc 0
32 mol 195 unq 1 iso 0 dist 8.08491 4.98231 7.41662 5.0778 5.60628 6.95086 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 6.32553 9.40714 6.52816 6.32542 5.28417 6.03688 numMergedOcc 0
34 mol 213 unq 0 iso 0 dist 8.04327 7.18317 8.21793 9.65238 8.75651 7.37798 numMergedOcc 0
35 mol 213 unq 1 iso 0 dist 8.04327 7.18317 8.21793 12.009 8.99471 7.73322 numMergedOcc 0
36 mol 235 unq 0 iso 0 dist 6.92276 6.19292 6.29377 7.90349 5.2878 8.69356 numMergedOcc 0
37 mol 235 unq 1 iso 0 dist 8.75776 11.041 6.29377 9.82675 5.2878 8.69356 numMergedOcc 0
38 mol 243 unq 0 iso 0 dist 8.96099 5.13362 7.10671 11.609 3.85188 8.76935 numMergedOcc 0
39 mol 243 unq 1 iso 0 dist 8.96099 5.13362 7.10671 12.7939 6.25256 8.47652 numMergedOcc 0
40 mol 243 unq 2 iso 0 dist 6.56525 5.8297 7.10671 7.30188 3.85188 8.76935 numMergedOcc 0
41 mol 243 unq 3 iso 0 dist 6.56525 5.8297 7.10671 9.75388 6.25256 8.47652 numMergedOcc 0
42 mol 243 unq 4 iso 0 dist 5.46817 5.8297 8.67156 7.30188 4.21383 8.76935 numMergedOcc 0
43 mol 243 unq 5 iso 0 dist 5.46817 5.8297 8.67156 9.75388 6.94795 8.47652 numMergedOcc 0
44 mol 279 unq 0 iso 0 dist 7.26637 6.07975 7.24366 5.02385 4.05042 7.23721 numMergedOcc 0
45 mol 292 unq 0 iso 0 dist 7.48212 5.0721 7.20674 10.2691 13.8094 7.07965 numMergedOcc 0
