0 mol 21 unq 0 iso 0 dist 8.07914 5.0018 3.91407 9.3814 10.4527 7.39438 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.04019 7.03174 11.7029 5.62472 12.0359 5.9844 numMergedOcc 0
2 mol 33 unq 1 iso 0 dist 7.44828 7.03174 5.34698 5.62472 5.52992 5.9844 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 7.44913 9.93484 6.29544 7.43519 10.5679 8.79583 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 6.54194 7.65495 4.50796 9.1771 10.9328 8.72013 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 8.91354 9.00799 9.01897 11.5252 16.7978 9.61935 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 6.90966 8.81935 3.75089 6.29219 9.64597 9.69962 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 5.83719 7.34368 4.49551 10.345 11.2815 8.82676 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 5.83719 7.34368 4.49551 12.9049 12.3647 8.17522 numMergedOcc 0
9 mol 127 unq 2 iso 0 dist 5.83719 7.34368 4.49551 12.7518 12.2968 8.14341 numMergedOcc 0
10 mol 127 unq 3 iso 0 dist 5.83719 7.34368 4.49551 4.87509 6.5087 6.54744 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 9.38856 9.07685 7.67833 5.23723 10.1102 6.64326 numMergedOcc 0
12 mol 158 unq 1 iso 0 dist 9.96635 7.41387 4.1393 4.80775 10.1818 9.53821 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 7.30751 6.66396 4.15457 7.13269 12.2828 9.48488 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.2254 5.84716 14.6234 7.82249 15.0175 9.37545 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 9.2254 5.84716 14.6234 9.09826 18.1056 6.02579 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 9.69055 9.99252 13.4977 6.34098 9.63234 8.63044 numMergedOcc 0
17 mol 198 unq 0 iso 0 dist 7.86075 8.95625 4.13224 12.2253 11.2491 8.32738 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 5.86839 9.49617 7.96379 13.7273 12.9441 7.23959 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 9.42047 5.99766 9.82099 8.21044 15.2365 9.62822 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 9.42047 5.99766 9.82099 8.05113 16.0067 7.03546 numMergedOcc 0
21 mol 206 unq 2 iso 0 dist 6.52136 8.33861 4.03178 5.91558 8.45825 8.00214 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 5.25149 6.57898 5.79012 6.19375 5.39218 4.96654 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 8.6368 6.57898 12.4207 6.19375 14.3841 4.96654 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 8.81063 5.74939 7.41418 6.70321 14.4931 8.20295 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 8.78924 7.43688 3.74434 5.70085 12.4651 9.57009 numMergedOcc 0
26 mol 243 unq 1 iso 0 dist 7.70472 5.50716 3.74434 11.7956 12.4651 9.57009 numMergedOcc 0
27 mol 243 unq 2 iso 0 dist 4.64178 7.43688 4.14613 5.70085 8.63799 9.57009 numMergedOcc 0
28 mol 243 unq 3 iso 0 dist 9.16988 5.50716 4.14613 11.7956 8.63799 9.57009 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 6.33567 7.17822 8.97107 7.99403 12.2492 8.13183 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 6.33567 7.17822 8.97107 6.51074 7.69358 6.78929 numMergedOcc 0
31 mol 281 unq 0 iso 0 dist 7.65321 5.46236 8.82508 5.81338 12.2104 6.49441 numMergedOcc 0
