0 mol 54 unq 0 iso 0 dist 9.46449 6.94712 3.81228 5.40129 7.23317 7.16132 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 9.71247 7.21134 5.1678 10.6174 9.97775 6.9362 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 8.4204 8.57607 15.7954 4.16047 9.49454 8.27883 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 8.4204 6.1991 10.4348 4.16047 9.49454 5.75428 numMergedOcc 0
4 mol 95 unq 2 iso 0 dist 8.4204 5.96246 5.88327 4.16047 9.49454 8.57395 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.21813 5.91797 3.92737 9.41666 4.47349 7.54889 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 5.21813 5.91797 3.92737 9.57791 5.65185 7.78931 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 5.21813 6.37954 3.94967 5.90686 6.7117 5.10496 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 5.21813 6.37954 3.94967 9.41666 4.47349 5.2571 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 5.21813 6.37954 3.94967 9.57791 5.65185 8.7497 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 8.49444 5.32773 7.1951 12.9469 8.8822 8.80934 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 5.55446 5.32773 3.84573 12.9469 9.66219 8.80934 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.08299 7.76446 11.5269 10.4858 9.94764 9.1998 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.08299 6.14652 6.93712 7.07625 6.23142 9.33094 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 6.08299 6.14652 6.93712 10.4858 9.94764 8.69531 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 6.71675 8.33147 3.7949 4.59843 6.42735 8.97589 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 6.71675 8.09403 4.67256 4.59843 6.42735 5.96423 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 6.19189 6.04336 3.78314 6.13422 7.76163 7.05695 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 6.19189 9.00537 4.03697 9.40374 8.73217 6.61112 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 8.34668 8.9388 4.03697 12.4751 8.73217 6.61112 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 5.0778 8.08491 5.60628 4.98231 6.95086 7.41662 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 6.32542 6.32553 5.28417 9.40714 6.03688 6.52816 numMergedOcc 0
22 mol 213 unq 0 iso 0 dist 9.65238 8.04327 8.75651 7.18317 7.37798 8.21793 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 7.90349 6.92276 5.2878 6.19292 8.69356 6.29377 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 7.30188 6.56525 3.85188 5.8297 8.76935 7.10671 numMergedOcc 0
25 mol 243 unq 1 iso 0 dist 7.30188 5.46817 4.21383 5.8297 8.76935 8.67156 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 5.02385 7.26637 4.05042 6.07975 7.23721 7.24366 numMergedOcc 0
