0 mol 13 unq 0 iso 0 dist 9.1093 6.24522 5.86973 6.44797 10.6752 8.12105 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 7.77333 7.86029 7.05769 4.61408 11.0132 7.65802 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 8.6783 6.74265 10.8697 5.896 12.162 9.75377 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 8.6783 6.74265 10.8697 4.69936 6.51139 6.75602 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.60396 5.5483 5.41731 4.09692 10.8612 7.32913 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 7.48969 9.30432 5.41731 10.8436 10.8612 7.32913 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 9.72287 6.27017 8.58468 5.04832 10.8193 8.85416 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.04935 7.78105 7.95422 4.82573 5.55798 8.61089 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 7.62621 8.01351 6.16048 4.4056 9.63646 8.91354 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 9.42444 8.10965 9.03322 12.706 15.3425 8.078 numMergedOcc 0
10 mol 103 unq 1 iso 0 dist 9.42444 8.10965 9.03322 3.9634 11.0546 6.56481 numMergedOcc 0
11 mol 103 unq 2 iso 0 dist 9.64736 8.10965 5.86578 12.706 13.9005 8.078 numMergedOcc 0
12 mol 103 unq 3 iso 0 dist 9.64736 8.10965 5.86578 3.9634 8.23356 6.56481 numMergedOcc 0
13 mol 104 unq 0 iso 0 dist 7.45407 5.46461 5.87427 4.86912 9.82929 5.71279 numMergedOcc 0
14 mol 104 unq 1 iso 0 dist 7.45407 5.46461 5.87427 4.27462 10.6354 6.18499 numMergedOcc 0
15 mol 123 unq 0 iso 0 dist 7.25497 9.14514 10.835 11.9828 16.8579 9.92281 numMergedOcc 0
16 mol 132 unq 0 iso 0 dist 8.94096 5.52837 7.71763 4.8602 11.5671 9.39389 numMergedOcc 0
17 mol 132 unq 1 iso 0 dist 7.64207 5.52837 7.53392 4.8602 8.72039 9.39389 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 9.86691 8.72732 14.0828 8.09812 6.9268 9.2759 numMergedOcc 0
19 mol 165 unq 0 iso 0 dist 7.6166 9.42821 9.15311 4.53841 10.2314 9.8669 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 9.38623 7.04009 5.44954 4.91302 6.28957 7.20545 numMergedOcc 0
21 mol 217 unq 0 iso 0 dist 9.51059 8.29482 4.10975 5.1774 7.80898 7.60302 numMergedOcc 0
22 mol 233 unq 0 iso 0 dist 9.49046 8.27169 12.4724 4.61365 8.01777 6.9103 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.6856 9.44669 6.30651 12.0868 14.7671 9.48772 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 8.6856 9.44669 6.30651 5.60485 8.17026 5.53369 numMergedOcc 0
25 mol 258 unq 2 iso 0 dist 8.6856 9.44669 6.30651 4.22701 8.43002 8.57274 numMergedOcc 0
26 mol 258 unq 3 iso 0 dist 9.98868 9.44669 10.8524 12.0868 18.9315 9.48772 numMergedOcc 0
27 mol 258 unq 4 iso 0 dist 9.98868 9.44669 10.8524 5.60485 11.1227 5.53369 numMergedOcc 0
28 mol 258 unq 5 iso 0 dist 9.98868 9.44669 10.8524 4.22701 11.0083 8.57274 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 9.8678 9.4961 17.1354 5.53565 11.387 9.39714 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 8.00278 9.4961 14.487 5.53565 7.3055 9.39714 numMergedOcc 0
31 mol 266 unq 2 iso 0 dist 9.10275 7.07099 10.5702 4.19938 11.387 6.57444 numMergedOcc 0
32 mol 266 unq 3 iso 0 dist 9.10275 7.07099 10.5702 8.95939 16.4844 7.9555 numMergedOcc 0
33 mol 266 unq 4 iso 0 dist 9.10275 8.3978 17.1354 4.19938 11.387 9.39714 numMergedOcc 0
34 mol 266 unq 5 iso 0 dist 6.13722 7.07099 6.1113 4.19938 7.3055 6.57444 numMergedOcc 0
35 mol 266 unq 6 iso 0 dist 6.13722 7.07099 6.1113 8.95939 11.9279 7.9555 numMergedOcc 0
36 mol 266 unq 7 iso 0 dist 6.13722 8.3978 14.487 4.19938 7.3055 9.39714 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 8.53542 7.69328 8.91353 4.15537 9.8701 7.83793 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 7.75212 9.04355 9.33717 5.05806 10.656 6.96774 numMergedOcc 0
39 mol 287 unq 1 iso 0 dist 7.75212 9.04355 9.33717 11.1974 15.3165 7.14859 numMergedOcc 0
40 mol 287 unq 2 iso 0 dist 7.75212 8.50508 11.7739 10.478 16.5884 8.40726 numMergedOcc 0
41 mol 287 unq 3 iso 0 dist 7.75212 8.50508 11.7739 8.049 14.0673 5.15923 numMergedOcc 0
42 mol 287 unq 4 iso 0 dist 7.90634 9.04355 5.66584 5.05806 7.3388 6.96774 numMergedOcc 0
43 mol 287 unq 5 iso 0 dist 7.90634 9.04355 5.66584 11.1974 6.96248 7.14859 numMergedOcc 0
44 mol 287 unq 6 iso 0 dist 7.90634 8.50508 5.27724 10.478 12.2535 8.40726 numMergedOcc 0
45 mol 287 unq 7 iso 0 dist 7.90634 8.50508 5.27724 8.049 6.19545 5.15923 numMergedOcc 0
46 mol 288 unq 0 iso 0 dist 7.75212 9.04355 9.33717 5.05806 10.656 6.96774 numMergedOcc 0
47 mol 288 unq 1 iso 0 dist 7.75212 9.04355 9.33717 11.1974 15.3165 7.14859 numMergedOcc 0
48 mol 288 unq 2 iso 0 dist 7.75212 8.50508 11.7739 10.478 16.5884 8.40726 numMergedOcc 0
49 mol 288 unq 3 iso 0 dist 7.75212 8.50508 11.7739 8.049 14.0673 5.15923 numMergedOcc 0
50 mol 288 unq 4 iso 0 dist 7.90634 9.04355 5.66584 5.05806 7.3388 6.96774 numMergedOcc 0
51 mol 288 unq 5 iso 0 dist 7.90634 9.04355 5.66584 11.1974 6.96248 7.14859 numMergedOcc 0
52 mol 288 unq 6 iso 0 dist 7.90634 8.50508 5.27724 10.478 12.2535 8.40726 numMergedOcc 0
53 mol 288 unq 7 iso 0 dist 7.90634 8.50508 5.27724 8.049 6.19545 5.15923 numMergedOcc 0
54 mol 289 unq 0 iso 0 dist 7.75212 9.04355 9.33717 5.05806 10.656 6.96774 numMergedOcc 0
55 mol 289 unq 1 iso 0 dist 7.75212 9.04355 9.33717 11.1974 15.3165 7.14859 numMergedOcc 0
56 mol 289 unq 2 iso 0 dist 7.75212 8.50508 11.7739 10.478 16.5884 8.40726 numMergedOcc 0
57 mol 289 unq 3 iso 0 dist 7.75212 8.50508 11.7739 8.049 14.0673 5.15923 numMergedOcc 0
58 mol 289 unq 4 iso 0 dist 7.90634 9.04355 5.66584 5.05806 7.3388 6.96774 numMergedOcc 0
59 mol 289 unq 5 iso 0 dist 7.90634 9.04355 5.66584 11.1974 6.96248 7.14859 numMergedOcc 0
60 mol 289 unq 6 iso 0 dist 7.90634 8.50508 5.27724 10.478 12.2535 8.40726 numMergedOcc 0
61 mol 289 unq 7 iso 0 dist 7.90634 8.50508 5.27724 8.049 6.19545 5.15923 numMergedOcc 0
