0 mol 2 unq 0 iso 0 dist 6.89072 9.5866 8.3726 5.67638 6.90295 4.92096 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 9.6309 11.8229 9.9373 13.2906 8.3613 8.30337 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 9.6309 6.16158 8.4881 13.2906 8.3613 8.41861 numMergedOcc 0
3 mol 10 unq 2 iso 0 dist 8.76873 13.3283 9.9373 11.4971 8.3613 8.30337 numMergedOcc 0
4 mol 10 unq 3 iso 0 dist 8.76873 3.9468 8.4881 11.4971 8.3613 8.41861 numMergedOcc 0
5 mol 10 unq 4 iso 0 dist 9.58981 11.5823 9.9373 6.38082 8.3613 8.30337 numMergedOcc 0
6 mol 10 unq 5 iso 0 dist 9.58981 4.18003 8.4881 6.38082 8.3613 8.41861 numMergedOcc 0
7 mol 10 unq 6 iso 0 dist 9.23414 4.55975 9.97671 13.2906 9.33141 14.6965 numMergedOcc 0
8 mol 10 unq 7 iso 0 dist 9.23414 11.8229 7.83087 13.2906 9.33141 8.30337 numMergedOcc 0
9 mol 10 unq 8 iso 0 dist 9.23414 6.16158 9.37129 13.2906 9.33141 8.41861 numMergedOcc 0
10 mol 11 unq 0 iso 0 dist 9.07476 9.89387 5.47299 5.8961 6.84216 10.0791 numMergedOcc 0
11 mol 11 unq 1 iso 0 dist 9.04534 9.85415 5.40468 5.71129 6.58046 9.68915 numMergedOcc 0
12 mol 34 unq 0 iso 0 dist 7.36836 5.89139 5.68794 5.66535 9.99939 9.83264 numMergedOcc 0
13 mol 34 unq 1 iso 0 dist 7.36836 10.4748 8.9964 5.66535 9.99939 13.7592 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 9.40699 12.0479 8.73208 12.0948 7.74064 6.49171 numMergedOcc 0
15 mol 88 unq 1 iso 0 dist 9.40699 9.40927 5.60174 12.0948 7.74064 7.86667 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 9.30187 7.09459 8.71826 6.7814 7.78789 6.29657 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 8.00063 4.65845 5.80055 12.1014 8.92592 10.9775 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 8.85223 10.7832 7.50005 6.04074 7.86092 6.90449 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 9.60767 7.45428 6.90511 6.71528 6.76495 5.2574 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 9.60767 7.45428 6.90511 11.6193 5.4557 7.48984 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 8.72101 13.3688 9.07744 4.88964 9.54359 10.2486 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 8.72101 13.3688 9.07744 6.76786 5.69112 7.94155 numMergedOcc 0
23 mol 277 unq 2 iso 0 dist 8.72101 16.9673 8.42892 4.88964 9.54359 17.6138 numMergedOcc 0
24 mol 277 unq 3 iso 0 dist 8.72101 16.9673 8.42892 6.76786 5.69112 13.5116 numMergedOcc 0
25 mol 277 unq 4 iso 0 dist 8.72101 8.45252 8.90967 4.88964 9.54359 11.006 numMergedOcc 0
26 mol 277 unq 5 iso 0 dist 8.72101 8.45252 8.90967 6.76786 5.69112 7.72525 numMergedOcc 0
27 mol 277 unq 6 iso 0 dist 8.75619 8.45252 6.40861 6.76786 7.2091 7.72525 numMergedOcc 0
28 mol 277 unq 7 iso 0 dist 5.11998 12.5633 9.07744 14.2115 9.54359 10.2486 numMergedOcc 0
29 mol 277 unq 8 iso 0 dist 5.11998 12.5633 9.07744 10.8075 5.69112 7.94155 numMergedOcc 0
30 mol 277 unq 9 iso 0 dist 5.11998 5.10572 8.42892 14.2115 9.54359 17.6138 numMergedOcc 0
31 mol 277 unq 10 iso 0 dist 5.11998 5.10572 8.42892 10.8075 5.69112 13.5116 numMergedOcc 0
32 mol 277 unq 11 iso 0 dist 5.11998 12.1971 8.90967 14.2115 9.54359 11.006 numMergedOcc 0
33 mol 277 unq 12 iso 0 dist 5.11998 12.1971 8.90967 10.8075 5.69112 7.72525 numMergedOcc 0
34 mol 277 unq 13 iso 0 dist 5.79925 12.1971 6.40861 10.8075 7.2091 7.72525 numMergedOcc 0
35 mol 277 unq 14 iso 0 dist 8.55906 8.18751 6.40861 12.9535 7.2091 7.72525 numMergedOcc 0
36 mol 277 unq 15 iso 0 dist 5.55523 6.94318 6.40861 11.2385 7.2091 7.72525 numMergedOcc 0
37 mol 281 unq 0 iso 0 dist 9.13909 8.64726 6.62682 13.6632 7.33334 8.21418 numMergedOcc 0
38 mol 281 unq 1 iso 0 dist 6.82918 14.9508 9.39268 7.74992 5.50053 7.85489 numMergedOcc 0
39 mol 281 unq 2 iso 0 dist 6.82918 4.19307 9.06888 7.74992 5.50053 8.21418 numMergedOcc 0
40 mol 281 unq 3 iso 0 dist 4.29351 4.19307 6.62682 7.74992 7.33334 8.21418 numMergedOcc 0
41 mol 294 unq 0 iso 0 dist 7.48987 8.43044 8.83359 5.57606 7.56669 4.40208 numMergedOcc 0
