0 mol 5 unq 0 iso 0 dist 9.83318 3.99762 8.97274 11.7909 7.56229 10.7591 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.83318 8.19993 7.5815 11.7909 7.56229 3.91535 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.74463 5.92541 7.82875 11.1641 6.77807 6.94628 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 7.2551 11.5083 9.4148 13.6047 9.2146 8.89273 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 7.2551 6.81477 6.87842 13.6047 9.2146 8.10455 numMergedOcc 0
5 mol 33 unq 0 iso 0 dist 7.29974 5.73537 7.84077 4.76306 4.64187 3.63113 numMergedOcc 0
6 mol 33 unq 1 iso 0 dist 7.29974 5.73537 7.84077 3.16085 7.95437 5.54858 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 8.79235 12.2389 5.63499 14.8207 9.32314 5.65514 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 6.44825 4.94708 9.83555 8.43533 5.88409 8.72788 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 7.7288 9.88522 6.30814 6.59223 4.78333 4.13187 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 7.7288 9.88522 6.30814 4.09431 4.74254 9.13196 numMergedOcc 0
11 mol 157 unq 0 iso 0 dist 8.8201 4.87585 8.9078 5.01559 7.91458 5.07066 numMergedOcc 0
12 mol 157 unq 1 iso 0 dist 8.8201 11.1291 6.07906 5.01559 7.91458 7.444 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 7.96541 8.66083 8.18217 9.69599 7.0961 3.60864 numMergedOcc 0
14 mol 168 unq 1 iso 0 dist 7.96541 8.66083 8.18217 7.91845 8.26768 7.08284 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 9.867 5.11732 8.92597 15.4168 7.68686 13.8162 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 9.867 17.3532 7.53734 15.4168 7.68686 6.82382 numMergedOcc 0
17 mol 205 unq 2 iso 0 dist 9.867 18.2651 9.79826 15.4168 7.68686 9.27501 numMergedOcc 0
18 mol 217 unq 0 iso 0 dist 6.58871 7.49329 8.99484 9.16386 6.19602 11.6282 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 9.09697 13.611 7.71863 14.9525 7.98132 4.8207 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 9.09697 13.611 7.71863 16.5417 7.99036 5.77577 numMergedOcc 0
21 mol 255 unq 0 iso 0 dist 7.58813 4.03201 5.88708 13.7865 8.7958 10.2353 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 7.97711 5.60874 8.9221 5.34431 7.72861 10.1418 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 7.97711 5.60874 8.9221 8.39575 8.20376 7.63149 numMergedOcc 0
24 mol 266 unq 2 iso 0 dist 7.97711 5.50447 9.51145 5.34431 7.72861 10.3155 numMergedOcc 0
25 mol 266 unq 3 iso 0 dist 7.97711 5.50447 9.51145 8.39575 8.20376 4.39553 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.03656 7.77606 8.30375 5.67885 8.62266 9.37282 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 6.00439 7.69985 8.66659 5.17343 9.06947 4.32276 numMergedOcc 0
28 mol 286 unq 0 iso 0 dist 6.64391 5.74706 5.58968 12.1288 8.75926 7.89615 numMergedOcc 0
