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 9.59206 10.8967 5.99857 numMergedOcc 0
2 mol 69 unq 1 iso 0 dist 9.71247 7.21134 5.1678 10.6174 9.97775 6.9362 numMergedOcc 0
3 mol 69 unq 2 iso 0 dist 4.95459 7.21134 11.1059 9.59206 13.9953 5.99857 numMergedOcc 0
4 mol 69 unq 3 iso 0 dist 4.95459 7.21134 11.1059 10.6174 15.1138 6.9362 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 8.4204 8.57607 15.7954 4.16047 9.49454 8.27883 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 8.4204 8.57607 15.7954 8.68514 15.8861 7.7152 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 8.4204 6.1991 10.4348 4.16047 9.49454 5.75428 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 8.4204 5.96246 5.88327 4.16047 9.49454 8.57395 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.21813 5.91797 3.92737 15.3018 12.5931 9.64383 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.21813 5.91797 3.92737 9.41666 4.47349 7.54889 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 5.21813 5.91797 3.92737 9.57791 5.65185 7.78931 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 5.21813 6.37954 3.94967 5.90686 6.7117 5.10496 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 5.21813 6.37954 3.94967 11.2946 9.42961 5.92242 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 5.21813 6.37954 3.94967 9.41666 4.47349 5.2571 numMergedOcc 0
15 mol 98 unq 6 iso 0 dist 5.21813 6.37954 3.94967 9.57791 5.65185 8.7497 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 4.76028 8.59103 7.14708 8.36322 10.2642 6.29161 numMergedOcc 0
17 mol 109 unq 1 iso 0 dist 9.88541 8.00085 5.79394 12.0697 12.241 9.89083 numMergedOcc 0
18 mol 109 unq 2 iso 0 dist 9.88541 8.00085 5.79394 6.80429 12.4099 8.52024 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 8.49444 5.32773 7.1951 12.9469 8.8822 8.80934 numMergedOcc 0
20 mol 113 unq 1 iso 0 dist 5.55446 5.32773 3.84573 12.9469 9.66219 8.80934 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 6.08299 7.76446 11.5269 6.47007 12.1214 6.42772 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 6.08299 7.76446 11.5269 10.4858 9.94764 9.1998 numMergedOcc 0
23 mol 134 unq 2 iso 0 dist 6.08299 7.76446 11.5269 14.3375 15.049 8.70621 numMergedOcc 0
24 mol 134 unq 3 iso 0 dist 6.08299 6.14652 6.93712 7.07625 6.23142 9.33094 numMergedOcc 0
25 mol 134 unq 4 iso 0 dist 6.08299 6.14652 6.93712 10.4858 9.94764 8.69531 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 6.71675 8.33147 3.7949 4.59843 6.42735 8.97589 numMergedOcc 0
27 mol 184 unq 1 iso 0 dist 6.71675 8.09403 4.67256 4.59843 6.42735 5.96423 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 6.19189 6.04336 3.78314 4.70216 10.5615 9.3498 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 6.19189 6.04336 3.78314 6.13422 7.76163 7.05695 numMergedOcc 0
30 mol 186 unq 2 iso 0 dist 6.19189 9.00537 4.03697 11.4985 10.6519 8.90571 numMergedOcc 0
31 mol 186 unq 3 iso 0 dist 6.19189 9.00537 4.03697 9.40374 8.73217 6.61112 numMergedOcc 0
32 mol 186 unq 4 iso 0 dist 8.34668 8.9388 4.03697 8.63909 10.6519 8.90571 numMergedOcc 0
33 mol 186 unq 5 iso 0 dist 8.34668 8.9388 4.03697 12.4751 8.73217 6.61112 numMergedOcc 0
34 mol 186 unq 6 iso 0 dist 8.76308 8.9388 14.8715 8.63909 17.3129 8.90571 numMergedOcc 0
35 mol 186 unq 7 iso 0 dist 8.76308 8.9388 14.8715 12.4751 19.8792 6.61112 numMergedOcc 0
36 mol 195 unq 0 iso 0 dist 5.0778 8.08491 5.60628 4.98231 6.95086 7.41662 numMergedOcc 0
37 mol 205 unq 0 iso 0 dist 6.32542 6.32553 5.28417 9.40714 6.03688 6.52816 numMergedOcc 0
38 mol 213 unq 0 iso 0 dist 9.65238 8.04327 8.75651 7.18317 7.37798 8.21793 numMergedOcc 0
39 mol 217 unq 0 iso 0 dist 5.88992 9.41353 11.304 5.33123 11.1338 9.62437 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 7.90349 6.92276 5.2878 6.19292 8.69356 6.29377 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 7.90349 6.92276 5.2878 6.83244 10.3932 5.70635 numMergedOcc 0
42 mol 243 unq 0 iso 0 dist 7.30188 6.56525 3.85188 5.8297 8.76935 7.10671 numMergedOcc 0
43 mol 243 unq 1 iso 0 dist 7.30188 5.46817 4.21383 5.8297 8.76935 8.67156 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 8.18864 9.61255 16.6645 7.62102 11.3835 9.30212 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 8.18864 7.64703 10.3776 7.62102 11.3835 6.4611 numMergedOcc 0
46 mol 279 unq 0 iso 0 dist 5.02385 7.26637 4.05042 6.07975 7.23721 7.24366 numMergedOcc 0
47 mol 279 unq 1 iso 0 dist 5.02385 9.88198 9.85432 10.7368 13.337 6.35028 numMergedOcc 0
