0 mol 1 unq 0 iso 0 dist 9.78935 10.8375 8.56884 16.1633 9.01967 9.00903 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.47421 12.558 7.03948 10.8592 6.2983 5.05803 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.47421 5.66097 5.47769 10.8592 6.2983 6.31718 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 9.47421 5.66097 5.47769 7.46752 5.94084 7.63133 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 9.47421 6.06561 6.58035 7.46752 5.94084 5.46498 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 5.36258 6.57145 8.23643 10.7917 11.0832 7.20519 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 5.36258 6.57145 8.23643 8.18518 6.55187 4.54938 numMergedOcc 0
7 mol 19 unq 2 iso 0 dist 5.36258 6.57145 8.23643 12.9091 12.3093 6.864 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 5.36258 6.01189 8.73972 8.18518 6.55187 7.82074 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 5.88852 5.78908 7.685 11.193 8.43188 7.31767 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 5.88852 5.78908 7.685 10.8651 10.3635 6.03987 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 8.64746 9.95527 8.68586 12.3873 5.3948 9.67592 numMergedOcc 0
12 mol 75 unq 0 iso 0 dist 7.14313 6.77761 5.15851 7.16583 10.0425 7.79912 numMergedOcc 0
13 mol 75 unq 1 iso 0 dist 7.14313 6.77761 5.15851 11.6681 11.8774 8.56639 numMergedOcc 0
14 mol 75 unq 2 iso 0 dist 7.14313 6.77761 5.15851 13.9013 10.0372 8.59017 numMergedOcc 0
15 mol 75 unq 3 iso 0 dist 8.26819 5.56574 5.15851 13.0751 10.0425 7.79912 numMergedOcc 0
16 mol 75 unq 4 iso 0 dist 8.26819 5.56574 5.15851 12.1692 11.8774 8.56639 numMergedOcc 0
17 mol 75 unq 5 iso 0 dist 8.26819 5.56574 5.15851 10.0315 10.0372 8.59017 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 6.00131 6.09495 8.36431 10.869 10.9701 9.33898 numMergedOcc 0
19 mol 92 unq 1 iso 0 dist 6.00131 6.09495 8.36431 14.4679 12.4284 9.64443 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 6.0026 6.89762 8.72704 9.57498 7.2495 6.45675 numMergedOcc 0
21 mol 100 unq 1 iso 0 dist 6.0026 6.89762 8.72704 10.0165 10.1589 7.47343 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 6.0026 6.89762 8.72704 15.6218 15.9331 8.86688 numMergedOcc 0
23 mol 102 unq 0 iso 0 dist 6.793 7.49575 9.94856 9.0361 5.498 7.36792 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 8.81198 5.74878 6.50039 6.09472 5.60178 4.99221 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 7.41608 5.81718 9.80862 9.85387 9.35964 6.18601 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 6.36583 6.24736 6.19042 11.4157 6.35763 9.87172 numMergedOcc 0
27 mol 119 unq 2 iso 0 dist 6.36583 5.81718 8.43904 9.85387 10.3457 6.18601 numMergedOcc 0
28 mol 127 unq 0 iso 0 dist 5.45159 13.8098 8.59981 20.3291 14.9761 8.14887 numMergedOcc 0
29 mol 127 unq 1 iso 0 dist 5.45159 13.8098 8.59981 18.5612 14.085 9.30299 numMergedOcc 0
30 mol 127 unq 2 iso 0 dist 4.9835 11.5038 8.59981 16.9209 14.9761 8.14887 numMergedOcc 0
31 mol 127 unq 3 iso 0 dist 4.9835 11.5038 8.59981 13.8284 14.085 9.30299 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 6.61636 14.1314 7.92688 10.5219 4.68409 7.11802 numMergedOcc 0
33 mol 133 unq 1 iso 0 dist 6.61636 14.1314 7.92688 18.5879 12.2037 8.00618 numMergedOcc 0
34 mol 155 unq 0 iso 0 dist 8.54318 10.0656 7.16254 13.7468 6.3845 6.23493 numMergedOcc 0
35 mol 155 unq 1 iso 0 dist 8.54318 12.7034 9.14392 13.7468 6.3845 7.46303 numMergedOcc 0
36 mol 155 unq 2 iso 0 dist 8.54318 12.7034 9.14392 18.2865 12.1814 6.43582 numMergedOcc 0
37 mol 220 unq 0 iso 0 dist 5.00266 6.19375 6.99002 15.0279 15.9568 9.23153 numMergedOcc 0
38 mol 220 unq 1 iso 0 dist 5.00266 6.19375 6.99002 13.2107 11.1321 8.24498 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 7.46845 5.90074 7.18956 7.27481 7.61682 7.54212 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 8.76325 6.87755 7.06793 12.2287 9.36098 8.95269 numMergedOcc 0
41 mol 224 unq 1 iso 0 dist 8.85101 11.0252 7.06793 12.7763 9.36098 8.95269 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 6.37369 10.8811 9.62609 17.255 14.6185 8.65997 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 5.77356 5.27568 7.17676 12.96 11.8759 8.03456 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 5.77356 5.27568 7.17676 10.8312 11.3552 6.84306 numMergedOcc 0
45 mol 236 unq 2 iso 0 dist 5.77356 5.27568 7.17676 11.2195 6.04825 9.99038 numMergedOcc 0
46 mol 236 unq 3 iso 0 dist 5.77356 5.27568 7.17676 14.0541 12.6468 9.78037 numMergedOcc 0
47 mol 236 unq 4 iso 0 dist 5.77356 5.27568 7.17676 6.73134 6.40312 8.35971 numMergedOcc 0
48 mol 236 unq 5 iso 0 dist 5.77356 7.77821 5.34718 12.96 11.8759 9.81562 numMergedOcc 0
49 mol 236 unq 6 iso 0 dist 5.77356 7.77821 5.34718 10.8312 11.3552 7.68742 numMergedOcc 0
50 mol 236 unq 7 iso 0 dist 5.77356 7.77821 5.34718 11.2195 6.04825 6.27581 numMergedOcc 0
51 mol 236 unq 8 iso 0 dist 9.24309 5.27568 6.68463 12.96 9.07822 8.03456 numMergedOcc 0
52 mol 236 unq 9 iso 0 dist 9.24309 5.27568 6.68463 10.8312 11.6837 6.84306 numMergedOcc 0
53 mol 236 unq 10 iso 0 dist 9.24309 5.27568 6.68463 11.2195 8.8265 9.99038 numMergedOcc 0
54 mol 236 unq 11 iso 0 dist 9.24309 5.27568 6.68463 14.0541 5.80136 9.78037 numMergedOcc 0
55 mol 236 unq 12 iso 0 dist 9.24309 5.27568 6.68463 6.73134 6.2568 8.35971 numMergedOcc 0
56 mol 238 unq 0 iso 0 dist 6.40309 7.01206 7.67322 13.8075 12.6986 7.31233 numMergedOcc 0
57 mol 238 unq 1 iso 0 dist 7.87164 11.2453 9.29858 11.7876 13.069 5.72887 numMergedOcc 0
58 mol 248 unq 0 iso 0 dist 9.83514 9.48478 6.07192 6.44967 6.48757 7.69895 numMergedOcc 0
59 mol 248 unq 1 iso 0 dist 9.83514 9.48478 6.07192 11.4848 5.51827 7.21521 numMergedOcc 0
60 mol 248 unq 2 iso 0 dist 9.83514 9.48478 6.07192 15.9246 9.29921 8.2965 numMergedOcc 0
61 mol 249 unq 0 iso 0 dist 9.02486 12.5843 8.83735 12.4678 5.23473 7.57994 numMergedOcc 0
62 mol 249 unq 1 iso 0 dist 9.02486 12.5843 8.83735 15.0782 7.38675 6.18582 numMergedOcc 0
63 mol 278 unq 0 iso 0 dist 8.56781 4.69872 6.35287 11.9787 6.07447 8.44326 numMergedOcc 0
64 mol 278 unq 1 iso 0 dist 9.95186 8.66976 6.35287 15.1476 6.07447 8.44326 numMergedOcc 0
65 mol 282 unq 0 iso 0 dist 7.10557 10.9773 6.85028 12.9821 6.3384 8.04483 numMergedOcc 0
66 mol 282 unq 1 iso 0 dist 7.10557 11.2762 7.32347 12.9821 6.3384 6.33524 numMergedOcc 0
67 mol 294 unq 0 iso 0 dist 8.05845 6.6414 9.03492 11.4441 6.17102 8.15665 numMergedOcc 0
68 mol 294 unq 1 iso 0 dist 8.73893 15.587 9.03492 14.4559 6.17102 8.15665 numMergedOcc 0
