0 mol 5 unq 0 iso 0 dist 6.96805 7.44029 9.59917 4.07788 7.8351 7.95876 numMergedOcc 0
1 mol 6 unq 0 iso 0 dist 6.47003 9.0451 9.33347 4.15136 6.76978 11.359 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 4.62913 9.79847 11.1357 5.85944 8.17618 14.3876 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 8.45063 8.0072 13.7087 9.08934 4.68793 11.3157 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 5.41134 8.35477 5.98891 5.29688 9.05547 10.4167 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 7.28815 9.47964 7.82219 6.53623 8.21553 14.291 numMergedOcc 0
6 mol 71 unq 1 iso 0 dist 7.28815 9.47964 7.82219 5.67157 8.22762 12.1314 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.09675 9.762 5.75925 14.4838 9.89021 14.0851 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 6.97882 9.32056 10.3039 11.2491 9.1329 17.2758 numMergedOcc 0
9 mol 87 unq 1 iso 0 dist 6.97882 9.32056 10.3039 5.00184 9.33217 14.2974 numMergedOcc 0
10 mol 87 unq 2 iso 0 dist 6.97882 9.32056 10.3039 12.8734 9.03114 19.2284 numMergedOcc 0
11 mol 87 unq 3 iso 0 dist 9.4868 9.32056 12.9613 11.2491 5.26938 17.2758 numMergedOcc 0
12 mol 87 unq 4 iso 0 dist 9.4868 9.32056 12.9613 12.8734 8.91602 19.2284 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 8.58317 8.75894 4.66329 4.70935 7.73139 6.08673 numMergedOcc 0
14 mol 127 unq 1 iso 0 dist 5.52891 8.75894 9.74982 4.02121 6.65963 12.1234 numMergedOcc 0
15 mol 127 unq 2 iso 0 dist 5.52891 8.75894 9.74982 4.70935 8.62711 6.08673 numMergedOcc 0
16 mol 132 unq 0 iso 0 dist 9.00166 9.98509 9.86197 4.90475 6.2403 9.64688 numMergedOcc 0
17 mol 132 unq 1 iso 0 dist 9.00166 9.98509 9.86197 6.34266 8.34869 13.8706 numMergedOcc 0
18 mol 132 unq 2 iso 0 dist 7.16287 9.98509 9.21191 4.90475 6.495 9.64688 numMergedOcc 0
19 mol 132 unq 3 iso 0 dist 7.16287 9.98509 9.21191 6.34266 9.43748 13.8706 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 7.63904 5.06116 5.93188 5.5065 9.04554 8.33439 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 8.79954 8.53936 13.7197 5.14137 8.8573 11.423 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 6.20851 6.76574 10.2839 9.22906 6.01711 13.5 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 4.45738 6.14128 5.22975 10.6493 7.7292 12.7968 numMergedOcc 0
24 mol 204 unq 1 iso 0 dist 4.45738 6.14128 5.22975 4.30341 6.27396 5.94972 numMergedOcc 0
25 mol 219 unq 0 iso 0 dist 8.55971 6.52136 9.32356 5.0241 9.68515 4.33238 numMergedOcc 0
26 mol 219 unq 1 iso 0 dist 7.26376 6.52136 4.74338 5.0241 8.09769 4.33238 numMergedOcc 0
27 mol 219 unq 2 iso 0 dist 7.26376 6.52136 4.74338 4.36122 7.24832 7.83604 numMergedOcc 0
28 mol 236 unq 0 iso 0 dist 5.6568 9.94117 7.69003 9.22303 9.96011 14.8528 numMergedOcc 0
29 mol 250 unq 0 iso 0 dist 8.65735 9.48105 11.26 3.78208 5.32724 10.6832 numMergedOcc 0
