0 mol 18 unq 0 iso 0 dist 6.39307 5.3982 8.43157 4.25207 5.65084 4.96555 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.27137 5.89178 9.94577 5.59268 4.79873 9.36442 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.69574 10.6588 8.81519 5.68664 5.94756 5.2876 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 5.40748 7.88793 9.31516 8.17272 7.28228 14.9509 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 6.63973 15.9053 9.3711 9.42791 8.23026 14.388 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 9.44737 8.36516 6.89706 4.88949 7.51139 8.44462 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 9.44737 8.36516 6.89706 13.7888 7.80898 6.07226 numMergedOcc 0
7 mol 89 unq 0 iso 0 dist 7.55644 4.93796 8.68698 6.46605 6.53308 10.5385 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.43496 12.5193 9.48388 9.56471 7.06939 7.72576 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 6.31773 7.4889 8.32738 5.28901 6.04595 5.78906 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.10803 10.872 6.39945 12.7349 9.77575 5.90895 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 9.10803 12.1048 7.14258 12.7349 9.77575 12.9965 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 5.82945 6.44931 6.98077 3.96103 6.93139 5.50335 numMergedOcc 0
13 mol 139 unq 0 iso 0 dist 7.02063 7.41954 9.07404 5.30274 5.80789 10.3273 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 9.15758 4.02626 8.21936 7.17402 7.18002 9.20754 numMergedOcc 0
15 mol 219 unq 0 iso 0 dist 6.52136 6.90398 8.38773 5.0241 4.33238 10.0509 numMergedOcc 0
16 mol 219 unq 1 iso 0 dist 6.52136 6.90398 8.38773 4.36122 7.83604 5.48556 numMergedOcc 0
17 mol 223 unq 0 iso 0 dist 9.6936 5.59816 9.73123 8.78003 9.33543 4.67731 numMergedOcc 0
18 mol 223 unq 1 iso 0 dist 9.36733 4.04961 9.73123 5.33327 9.33543 4.67731 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 7.63381 7.04644 7.69491 9.86326 6.73665 5.29737 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 7.63381 7.04644 7.69491 5.82779 9.34438 10.9704 numMergedOcc 0
21 mol 239 unq 2 iso 0 dist 7.63381 7.04644 7.69491 13.5224 9.35949 12.551 numMergedOcc 0
22 mol 239 unq 3 iso 0 dist 7.63381 4.99161 6.64008 9.86326 6.73665 11.4465 numMergedOcc 0
23 mol 239 unq 4 iso 0 dist 7.63381 4.99161 6.64008 5.82779 9.34438 5.08687 numMergedOcc 0
24 mol 239 unq 5 iso 0 dist 7.63381 4.99161 6.64008 13.5224 9.35949 12.4215 numMergedOcc 0
25 mol 257 unq 0 iso 0 dist 8.70029 6.26147 5.81865 6.45947 8.83833 5.86413 numMergedOcc 0
26 mol 257 unq 1 iso 0 dist 8.70029 9.32241 8.25457 6.45947 8.83833 13.8679 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 8.89714 12.565 5.63226 8.50795 6.31969 9.45651 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 7.59142 12.8668 8.9352 11.6042 6.35028 5.34376 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 7.59142 12.3885 5.8845 11.6042 6.35028 5.86731 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 7.78796 12.3343 6.79765 6.94727 9.74118 9.91235 numMergedOcc 0
