0 mol 39 unq 0 iso 0 dist 9.35025 9.80217 8.70192 6.22826 8.68887 5.20561 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 8.66992 7.14422 8.70192 6.37452 8.68887 5.20561 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 9.31516 14.9509 7.28228 17.6735 9.32314 4.32161 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.37273 8.66168 9.8703 5.37935 8.19932 10.9724 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 6.37273 7.1369 7.39665 5.37935 8.19932 10.6721 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.3711 14.388 8.23026 10.1475 5.45099 4.27653 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 9.3711 14.388 8.23026 4.4828 8.44765 10.934 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 9.3711 14.388 8.23026 7.00476 9.06643 11.8887 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 9.24252 12.3557 8.49678 7.32685 9.25023 6.79448 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 9.63281 3.97609 8.28795 5.21959 9.87354 5.49724 numMergedOcc 0
10 mol 139 unq 0 iso 0 dist 9.07404 10.3273 5.80789 10.9371 8.83962 6.10392 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 9.95076 8.35998 7.37333 4.95423 8.91326 4.68369 numMergedOcc 0
12 mol 162 unq 1 iso 0 dist 7.76112 8.35998 7.45998 4.95423 8.33649 4.68369 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.82338 9.653 8.90571 5.56574 9.17458 9.14919 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 9.82338 9.653 8.90571 7.76011 7.36794 9.11577 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 9.82338 10.568 6.61112 5.56574 9.17458 12.2442 numMergedOcc 0
16 mol 186 unq 3 iso 0 dist 9.82338 10.568 6.61112 7.76011 7.36794 11.7398 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 5.07975 5.66819 5.56538 12.2754 8.88902 8.89157 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 8.07313 5.14134 8.69318 12.5873 9.53137 16.0709 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 4.54745 5.26867 7.15764 6.40957 7.62991 9.73449 numMergedOcc 0
20 mol 252 unq 1 iso 0 dist 4.54745 5.26867 7.15764 8.56684 9.81261 9.93981 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 5.81865 5.86413 8.83833 7.56859 7.80473 10.9989 numMergedOcc 0
22 mol 257 unq 1 iso 0 dist 8.25457 13.8679 8.83833 4.98901 7.80473 10.9989 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 9.94851 8.96892 7.45616 7.24849 4.93516 3.65199 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 9.94851 8.96892 7.45616 7.24849 4.93516 3.65199 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 9.94851 8.96892 7.45616 7.24849 4.93516 3.65199 numMergedOcc 0
