0 mol 58 unq 0 iso 0 dist 9.55469 8.66876 7.58407 10.3799 6.44201 6.46761 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 9.55469 5.69963 6.31428 10.3799 6.44201 9.73139 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 5.99959 6.58144 7.58407 10.1107 6.44201 6.46761 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 5.99959 4.98107 6.31428 10.1107 6.44201 9.73139 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 6.53104 10.1501 7.64585 15.5062 12.0796 9.66954 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.87854 5.72463 7.44174 10.1216 11.6138 9.38288 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 9.87854 5.72463 7.44174 10.5358 8.58342 6.19042 numMergedOcc 0
7 mol 119 unq 2 iso 0 dist 6.41992 5.78487 9.38288 8.15125 6.59581 6.19042 numMergedOcc 0
8 mol 119 unq 3 iso 0 dist 6.41992 5.78487 9.38288 10.6972 11.6138 7.44174 numMergedOcc 0
9 mol 119 unq 4 iso 0 dist 8.15125 5.78487 6.19042 6.41992 6.59581 9.38288 numMergedOcc 0
10 mol 119 unq 5 iso 0 dist 8.15125 5.78487 6.19042 10.6972 8.58342 7.44174 numMergedOcc 0
11 mol 119 unq 6 iso 0 dist 8.15125 13.4592 8.43904 10.3895 4.84196 9.80862 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 4.89099 5.07165 6.83051 9.17727 4.81682 9.28376 numMergedOcc 0
13 mol 124 unq 1 iso 0 dist 7.87439 6.27128 6.83051 11.9596 4.81682 9.28376 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 5.30018 4.95483 8.36117 6.37224 5.42587 6.77578 numMergedOcc 0
15 mol 195 unq 1 iso 0 dist 6.37224 4.95483 6.77578 5.30018 5.42587 8.36117 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 9.69154 17.1306 8.99696 23.6627 14.5931 7.85058 numMergedOcc 0
17 mol 197 unq 1 iso 0 dist 9.69154 17.1306 8.99696 17.2503 8.44549 9.96638 numMergedOcc 0
18 mol 197 unq 2 iso 0 dist 9.49122 15.7335 8.99696 19.2745 14.5931 7.85058 numMergedOcc 0
19 mol 197 unq 3 iso 0 dist 9.49122 15.7335 8.99696 12.0172 8.44549 9.96638 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 7.48163 5.80113 7.21533 10.0328 5.17341 7.90031 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 9.83627 6.34888 7.21533 13.0545 5.17341 7.90031 numMergedOcc 0
22 mol 213 unq 0 iso 0 dist 7.67499 11.1516 6.68292 9.57986 4.8814 4.26212 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 6.54661 10.1821 6.55759 8.97261 6.44245 7.02475 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 6.54661 10.1821 6.55759 13.7887 10.677 7.67322 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 6.54661 10.1821 6.55759 12.0613 12.1411 7.19008 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 8.97261 10.1821 7.02475 6.54661 6.44245 6.55759 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 8.97261 10.1821 7.02475 13.7887 5.44694 7.67322 numMergedOcc 0
28 mol 238 unq 5 iso 0 dist 8.97261 10.1821 7.02475 12.0613 10.1756 7.19008 numMergedOcc 0
29 mol 238 unq 6 iso 0 dist 5.3853 10.228 8.14172 11.2976 10.9258 8.09066 numMergedOcc 0
30 mol 238 unq 7 iso 0 dist 5.3853 5.88292 6.77463 11.2976 10.9258 7.2766 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 8.62569 16.3793 9.0012 11.1773 6.20393 9.5784 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 7.59237 6.27066 7.04472 11.017 11.01 6.4778 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 7.59237 6.27066 7.04472 11.017 11.01 6.4778 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 7.59237 6.27066 7.04472 11.017 11.01 6.4778 numMergedOcc 0
