0 mol 7 unq 0 iso 0 dist 9.17764 9.69326 8.72114 12.6403 5.5683 9.67164 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.56483 8.23069 8.70827 10.2624 4.04519 6.6219 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.56483 8.23069 8.70827 13.5967 13.7009 5.68215 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.56483 8.59466 9.12854 13.1831 9.86385 8.87744 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.56483 8.59466 9.12854 11.0243 10.4353 7.27472 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 9.46449 5.40129 7.23317 6.94712 3.81228 7.16132 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 9.71247 10.6174 9.97775 7.21134 5.1678 6.9362 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.4204 4.16047 9.49454 8.57607 15.7954 8.27883 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 8.4204 4.16047 9.49454 6.1991 10.4348 5.75428 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 8.4204 4.16047 9.49454 5.96246 5.88327 8.57395 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 8.4204 4.16047 9.49454 10.1197 3.96826 9.85409 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.21813 5.90686 6.7117 6.37954 3.94967 5.10496 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.21813 9.41666 4.47349 5.91797 3.92737 7.54889 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 5.21813 9.41666 4.47349 6.37954 3.94967 5.2571 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 5.21813 9.57791 5.65185 5.91797 3.92737 7.78931 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 5.21813 9.57791 5.65185 6.37954 3.94967 8.7497 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 7.89276 12.4645 6.7117 10.0215 3.94967 5.10496 numMergedOcc 0
17 mol 98 unq 6 iso 0 dist 7.89276 4.89219 4.47349 9.93764 3.92737 7.54889 numMergedOcc 0
18 mol 98 unq 7 iso 0 dist 7.89276 4.89219 4.47349 10.0215 3.94967 5.2571 numMergedOcc 0
19 mol 98 unq 8 iso 0 dist 7.89276 3.91112 5.65185 9.93764 3.92737 7.78931 numMergedOcc 0
20 mol 98 unq 9 iso 0 dist 7.89276 3.91112 5.65185 10.0215 3.94967 8.7497 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 8.49444 12.9469 8.8822 5.32773 7.1951 8.80934 numMergedOcc 0
22 mol 113 unq 1 iso 0 dist 5.55446 12.9469 9.66219 5.32773 3.84573 8.80934 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 7.85849 10.879 6.23142 14.395 6.93712 9.33094 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 7.85849 16.7911 9.94764 18.4308 11.5269 9.1998 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 7.85849 16.7911 9.94764 14.395 6.93712 8.69531 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 6.08299 7.07625 6.23142 6.14652 6.93712 9.33094 numMergedOcc 0
27 mol 134 unq 4 iso 0 dist 6.08299 10.4858 9.94764 7.76446 11.5269 9.1998 numMergedOcc 0
28 mol 134 unq 5 iso 0 dist 6.08299 10.4858 9.94764 6.14652 6.93712 8.69531 numMergedOcc 0
29 mol 184 unq 0 iso 0 dist 6.71675 4.59843 6.42735 8.33147 3.7949 8.97589 numMergedOcc 0
30 mol 184 unq 1 iso 0 dist 6.71675 4.59843 6.42735 8.09403 4.67256 5.96423 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 6.19189 6.13422 7.76163 6.04336 3.78314 7.05695 numMergedOcc 0
32 mol 186 unq 1 iso 0 dist 6.19189 9.40374 8.73217 9.00537 4.03697 6.61112 numMergedOcc 0
33 mol 186 unq 2 iso 0 dist 8.34668 10.2733 7.76163 11.5802 3.78314 7.05695 numMergedOcc 0
34 mol 186 unq 3 iso 0 dist 8.34668 12.4751 8.73217 8.9388 4.03697 6.61112 numMergedOcc 0
35 mol 195 unq 0 iso 0 dist 5.0778 4.98231 6.95086 8.08491 5.60628 7.41662 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 6.32542 9.40714 6.03688 6.32553 5.28417 6.52816 numMergedOcc 0
37 mol 213 unq 0 iso 0 dist 9.65238 7.18317 7.37798 8.04327 8.75651 8.21793 numMergedOcc 0
38 mol 235 unq 0 iso 0 dist 7.90349 6.19292 8.69356 10.3067 10.0135 8.19317 numMergedOcc 0
39 mol 235 unq 1 iso 0 dist 7.90349 6.19292 8.69356 6.92276 5.2878 6.29377 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 6.97527 5.18833 9.24557 12.9852 17.1065 9.72188 numMergedOcc 0
41 mol 243 unq 0 iso 0 dist 7.30188 5.8297 8.76935 6.56525 3.85188 7.10671 numMergedOcc 0
42 mol 243 unq 1 iso 0 dist 7.30188 5.8297 8.76935 5.46817 4.21383 8.67156 numMergedOcc 0
43 mol 279 unq 0 iso 0 dist 5.02385 6.07975 7.23721 7.26637 4.05042 7.24366 numMergedOcc 0
44 mol 292 unq 0 iso 0 dist 9.01292 4.36479 7.83341 14.1815 13.4805 9.9182 numMergedOcc 0
45 mol 292 unq 1 iso 0 dist 9.01292 4.36479 7.83341 12.3919 8.14131 8.9221 numMergedOcc 0
