0 mol 5 unq 0 iso 0 dist 5.14917 9.05414 5.13643 4.34873 6.77563 10.8121 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 8.45063 6.51139 14.3405 9.08934 4.68793 14.5447 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 8.45063 6.91278 14.4796 9.08934 4.68793 13.2774 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 5.44077 9.76585 8.43173 5.16403 9.05728 14.9221 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 8.72833 9.94756 6.2119 4.61096 8.54845 12.1419 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 8.34804 8.39857 14.8076 16.4344 8.64208 22.9686 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 8.34804 8.39857 14.8076 11.9474 7.9572 19.6241 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 5.74637 8.87089 6.09578 4.0486 7.76275 11.3747 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 8.1375 8.75165 6.4251 8.44658 7.55805 11.8191 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 5.01269 9.48694 5.55073 6.49846 5.97805 10.9145 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.61448 5.84909 8.13581 10.1805 8.96061 12.3814 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 7.63904 8.65008 6.12711 5.5065 9.04554 6.36439 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 5.16143 9.25488 4.41993 5.01007 8.66709 11.8217 numMergedOcc 0
13 mol 155 unq 1 iso 0 dist 5.16143 8.02356 5.55092 5.01007 8.66709 8.57712 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 6.89529 9.24754 8.08989 4.12904 6.56115 8.32426 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 9.65404 8.39087 4.49322 6.32863 7.83781 9.23645 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 7.7013 8.57666 4.40729 12.3666 6.73365 8.84385 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 7.7013 8.57666 4.40729 12.3067 9.45659 9.81041 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 7.7013 8.57666 4.40729 7.28603 9.44856 9.91248 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 5.33103 5.70065 9.12311 3.84723 6.53736 6.13878 numMergedOcc 0
20 mol 210 unq 1 iso 0 dist 9.01301 5.70065 7.75472 3.84723 8.18851 6.13878 numMergedOcc 0
21 mol 217 unq 0 iso 0 dist 8.72578 7.81825 13.7573 6.20364 5.10683 13.4378 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 8.20542 9.51001 13.8826 11.2013 9.97357 9.13551 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 8.20542 9.51001 13.8826 4.15973 6.36941 7.87233 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 9.17911 5.9223 14.8337 9.07364 9.67877 11.1621 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 9.17911 5.9223 14.8337 17.1229 8.81059 22.8449 numMergedOcc 0
26 mol 258 unq 2 iso 0 dist 9.17911 5.9223 14.8337 15.539 9.12006 21.327 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 6.28023 7.8547 6.75848 4.4049 9.81087 8.41236 numMergedOcc 0
28 mol 276 unq 0 iso 0 dist 9.5388 7.73676 4.6652 10.8564 8.95876 12.1674 numMergedOcc 0
29 mol 276 unq 1 iso 0 dist 9.5388 7.73676 4.6652 12.2055 8.259 11.4689 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 7.47179 9.38187 10.1749 11.3154 7.13655 15.4843 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 7.47179 9.38187 10.1749 11.3154 7.13655 15.4843 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 7.47179 9.38187 10.1749 11.3154 7.13655 15.4843 numMergedOcc 0
33 mol 294 unq 0 iso 0 dist 5.71656 9.64435 6.19638 5.57606 8.52208 14.167 numMergedOcc 0
