0 mol 1 unq 0 iso 0 dist 8.70365 7.68779 8.37144 6.24156 9.00146 12.7243 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.70365 7.68779 8.37144 9.92098 4.34875 7.4966 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 9.33719 7.68779 7.29854 6.24156 13.2651 12.7243 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 9.33719 7.68779 7.29854 9.92098 8.99175 7.4966 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 5.94326 7.23594 5.73846 9.00899 4.25448 4.59668 numMergedOcc 0
5 mol 18 unq 1 iso 0 dist 5.94326 7.23594 5.73846 7.826 9.07359 13.2203 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 4.52881 7.16036 6.07691 6.86391 9.37301 6.16718 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 7.06922 9.31319 6.3156 9.72136 9.59822 13.1434 numMergedOcc 0
8 mol 46 unq 1 iso 0 dist 7.06922 9.31319 6.3156 4.61355 10.3583 10.9054 numMergedOcc 0
9 mol 46 unq 2 iso 0 dist 7.06922 8.2513 5.37608 9.72136 9.59822 14.5035 numMergedOcc 0
10 mol 46 unq 3 iso 0 dist 7.06922 8.2513 5.37608 4.61355 10.3583 12.3186 numMergedOcc 0
11 mol 70 unq 0 iso 0 dist 4.79868 7.95122 5.54966 8.55467 4.41833 8.70781 numMergedOcc 0
12 mol 70 unq 1 iso 0 dist 4.79868 9.74268 9.69588 8.55467 4.41833 13.4238 numMergedOcc 0
13 mol 86 unq 0 iso 0 dist 9.34342 5.49793 4.98527 7.19148 6.23998 5.9022 numMergedOcc 0
14 mol 94 unq 0 iso 0 dist 8.80788 9.24996 6.79503 9.02053 4.6665 9.55908 numMergedOcc 0
15 mol 94 unq 1 iso 0 dist 8.80788 8.37473 7.11306 9.02053 4.6665 3.97543 numMergedOcc 0
16 mol 103 unq 0 iso 0 dist 6.13194 5.94478 7.24773 9.43076 13.3309 6.80028 numMergedOcc 0
17 mol 110 unq 0 iso 0 dist 9.35378 6.59361 8.6616 8.27843 4.34447 8.4494 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 7.94258 6.7319 13.548 8.1368 5.19932 11.4245 numMergedOcc 0
19 mol 148 unq 0 iso 0 dist 6.81055 9.7168 12.052 9.8506 8.51158 15.239 numMergedOcc 0
20 mol 148 unq 1 iso 0 dist 6.81055 7.38138 5.2593 9.8506 8.51158 8.68046 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 6.77966 9.61132 11.9651 9.91991 8.45996 15.2388 numMergedOcc 0
22 mol 150 unq 1 iso 0 dist 6.77966 7.34423 5.1918 9.91991 8.45996 8.55576 numMergedOcc 0
23 mol 178 unq 0 iso 0 dist 8.65373 6.01118 12.4317 8.74572 10.8438 10.8974 numMergedOcc 0
24 mol 178 unq 1 iso 0 dist 8.65373 6.01118 12.4317 8.62441 9.91243 8.44333 numMergedOcc 0
25 mol 178 unq 2 iso 0 dist 8.6561 6.01118 9.99051 8.74572 12.8704 10.8974 numMergedOcc 0
26 mol 178 unq 3 iso 0 dist 8.6561 6.01118 9.99051 8.62441 9.95083 8.44333 numMergedOcc 0
27 mol 178 unq 4 iso 0 dist 9.1197 6.01118 5.13245 8.74572 15.8477 10.8974 numMergedOcc 0
28 mol 178 unq 5 iso 0 dist 9.1197 6.01118 5.13245 8.62441 13.1405 8.44333 numMergedOcc 0
29 mol 182 unq 0 iso 0 dist 5.16184 6.31492 5.40949 8.45614 9.16709 4.88992 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 7.70035 8.74123 6.94141 6.112 4.76899 6.28653 numMergedOcc 0
31 mol 282 unq 0 iso 0 dist 9.40138 7.70229 4.58403 9.07173 10.3259 8.58259 numMergedOcc 0
32 mol 282 unq 1 iso 0 dist 9.40138 7.90792 5.04235 9.07173 10.3259 5.29852 numMergedOcc 0
33 mol 282 unq 2 iso 0 dist 8.37963 7.70229 14.9812 9.07173 14.1943 8.58259 numMergedOcc 0
34 mol 282 unq 3 iso 0 dist 8.37963 7.90792 15.4482 9.07173 14.1943 5.29852 numMergedOcc 0
35 mol 284 unq 0 iso 0 dist 7.71744 9.27402 9.00582 7.21255 7.00626 10.6409 numMergedOcc 0
36 mol 284 unq 1 iso 0 dist 7.71744 9.26573 7.29392 7.21255 7.00626 6.25608 numMergedOcc 0
37 mol 284 unq 2 iso 0 dist 4.70976 9.27402 5.21448 7.21255 6.34668 10.6409 numMergedOcc 0
38 mol 284 unq 3 iso 0 dist 4.70976 9.26573 5.10189 7.21255 6.34668 6.25608 numMergedOcc 0
