0 mol 11 unq 0 iso 0 dist 7.91082 10.8713 5.47299 9.72015 7.27588 6.83186 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.69637 14.3935 7.61183 18.8702 14.3151 8.25818 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.204 4.83638 9.11745 7.88072 3.90342 9.63882 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 8.204 5.2103 4.62145 7.88072 3.90342 6.87277 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.40644 8.12843 7.33788 11.9764 7.0331 8.96151 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 9.40644 8.12843 7.33788 7.99434 3.85292 4.22002 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 9.40644 9.72202 9.74351 7.99434 3.85292 8.10774 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 9.40644 12.7252 7.36877 14.5028 6.64874 5.54472 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 9.40644 12.7252 7.36877 14.0354 5.68077 8.62369 numMergedOcc 0
9 mol 48 unq 5 iso 0 dist 9.40644 12.7252 7.36877 7.99434 3.85292 6.5241 numMergedOcc 0
10 mol 48 unq 6 iso 0 dist 5.35252 8.12843 8.52681 11.9764 10.4499 8.96151 numMergedOcc 0
11 mol 48 unq 7 iso 0 dist 5.35252 8.12843 8.52681 7.99434 6.44604 4.22002 numMergedOcc 0
12 mol 48 unq 8 iso 0 dist 5.35252 9.72202 9.98769 7.99434 6.44604 8.10774 numMergedOcc 0
13 mol 48 unq 9 iso 0 dist 9.53081 15.1442 7.90416 11.8063 9.165 9.05737 numMergedOcc 0
14 mol 48 unq 10 iso 0 dist 5.06188 9.57893 9.40291 8.10222 6.4561 8.14245 numMergedOcc 0
15 mol 48 unq 11 iso 0 dist 5.06188 7.88988 7.94814 8.10222 6.4561 4.17933 numMergedOcc 0
16 mol 48 unq 12 iso 0 dist 5.06188 8.00934 9.55632 8.10222 6.4561 5.54893 numMergedOcc 0
17 mol 63 unq 0 iso 0 dist 6.49343 4.44607 6.42443 7.85738 12.6017 9.13228 numMergedOcc 0
18 mol 63 unq 1 iso 0 dist 9.78739 12.0704 6.42443 20.0078 12.6017 9.13228 numMergedOcc 0
19 mol 76 unq 0 iso 0 dist 5.73235 5.50078 9.50939 9.0369 8.58474 7.66068 numMergedOcc 0
20 mol 76 unq 1 iso 0 dist 7.48127 11.6853 9.50939 5.91098 8.58474 7.66068 numMergedOcc 0
21 mol 78 unq 0 iso 0 dist 6.54194 3.74336 6.13394 9.39265 3.63624 9.2057 numMergedOcc 0
22 mol 78 unq 1 iso 0 dist 9.86325 7.38398 7.50229 6.11101 7.86077 8.61143 numMergedOcc 0
23 mol 78 unq 2 iso 0 dist 9.86325 7.38398 7.50229 14.6801 7.92963 8.79979 numMergedOcc 0
24 mol 83 unq 0 iso 0 dist 7.2118 4.12785 5.13041 7.69755 4.48523 7.50925 numMergedOcc 0
25 mol 90 unq 0 iso 0 dist 9.06641 4.77556 7.01987 8.63446 6.65219 5.24346 numMergedOcc 0
26 mol 92 unq 0 iso 0 dist 7.70612 4.65353 9.62106 8.01266 4.51052 8.55237 numMergedOcc 0
27 mol 101 unq 0 iso 0 dist 7.1859 4.4529 7.33426 12.1836 9.71802 8.19144 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 5.40826 5.08025 6.38786 5.33772 3.66518 4.3855 numMergedOcc 0
29 mol 158 unq 0 iso 0 dist 9.96635 12.6695 9.98554 14.387 7.59334 7.97228 numMergedOcc 0
30 mol 230 unq 0 iso 0 dist 9.24729 4.45276 9.62914 8.01593 3.86973 9.47092 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 6.45473 6.51471 9.49634 6.33954 5.16057 5.58222 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 9.0836 7.52317 6.39822 14.5631 10.1418 7.8598 numMergedOcc 0
33 mol 266 unq 1 iso 0 dist 9.0836 7.52317 6.39822 6.48382 7.63149 8.25286 numMergedOcc 0
34 mol 266 unq 2 iso 0 dist 9.0836 9.52953 5.36518 14.5631 10.1418 7.80711 numMergedOcc 0
35 mol 266 unq 3 iso 0 dist 9.0836 9.52953 5.36518 6.48382 7.63149 9.9965 numMergedOcc 0
36 mol 266 unq 4 iso 0 dist 9.62494 5.79323 9.90506 6.48382 4.39553 6.96692 numMergedOcc 0
37 mol 266 unq 5 iso 0 dist 9.62494 7.52317 8.61077 14.5631 10.3155 7.8598 numMergedOcc 0
38 mol 266 unq 6 iso 0 dist 9.62494 7.52317 8.61077 6.48382 4.39553 8.25286 numMergedOcc 0
39 mol 266 unq 7 iso 0 dist 9.62494 9.52953 9.11585 14.5631 10.3155 7.80711 numMergedOcc 0
40 mol 266 unq 8 iso 0 dist 9.62494 9.52953 9.11585 6.48382 4.39553 9.9965 numMergedOcc 0
41 mol 268 unq 0 iso 0 dist 5.94741 5.39453 5.49906 7.40323 6.07203 9.52476 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 6.66936 14.4215 9.07744 10.4606 9.21484 7.98956 numMergedOcc 0
43 mol 277 unq 1 iso 0 dist 6.66936 14.4215 9.07744 13.1741 10.3506 5.86185 numMergedOcc 0
44 mol 277 unq 2 iso 0 dist 6.66936 14.4215 9.07744 17.0639 10.4629 6.79748 numMergedOcc 0
45 mol 277 unq 3 iso 0 dist 8.15119 5.11865 9.07744 4.1545 9.21484 7.98956 numMergedOcc 0
46 mol 277 unq 4 iso 0 dist 8.15119 5.11865 9.07744 4.25172 10.3506 5.86185 numMergedOcc 0
47 mol 277 unq 5 iso 0 dist 8.15119 5.11865 9.07744 11.2914 10.4629 6.79748 numMergedOcc 0
48 mol 281 unq 0 iso 0 dist 6.58925 14.7035 9.39268 15.5913 12.4082 7.90368 numMergedOcc 0
49 mol 281 unq 1 iso 0 dist 6.58925 14.7035 9.39268 16.9945 10.4439 6.69267 numMergedOcc 0
