0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 8.23643 11.0832 6.55187 5.03957 12.1187 7.82074 8.73972 6.92532 12.3486 5.18512 6.87842 6.36455 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 5.03957 7.82074 12.1187 8.73972 6.92532 5.18512 12.3486 6.87842 6.36455 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 10.8007 15.679 9.78944 6.00439 6.92532 12.3486 5.18512 6.34272 7.48847 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 10.8007 9.78944 15.679 6.00439 6.92532 5.18512 12.3486 6.34272 7.48847 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 5.03957 12.1187 11.0366 8.73972 6.92532 12.3486 9.47529 6.87842 6.36455 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 5.03957 11.0366 12.1187 8.73972 6.92532 9.47529 12.3486 6.87842 6.36455 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 10.8007 15.679 9.56313 6.00439 6.92532 12.3486 9.47529 6.34272 7.48847 numMergedOcc 0
7 mol 19 unq 3 iso 1 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 10.8007 9.56313 15.679 6.00439 6.92532 9.47529 12.3486 6.34272 7.48847 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 7.83352 9.78944 9.56313 6.00439 10.1882 5.18512 9.47529 6.34272 7.48847 numMergedOcc 0
9 mol 19 unq 4 iso 1 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 7.83352 9.56313 9.78944 6.00439 10.1882 9.47529 5.18512 6.34272 7.48847 numMergedOcc 0
10 mol 19 unq 5 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 7.67038 4.54938 6.864 7.82528 10.1882 5.18512 9.47529 6.34272 6.92532 numMergedOcc 0
11 mol 19 unq 5 iso 1 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 7.67038 6.864 4.54938 7.82528 10.1882 9.47529 5.18512 6.34272 6.92532 numMergedOcc 0
12 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 5.03957 7.82074 11.0366 8.73972 6.92532 5.18512 9.47529 6.87842 6.36455 numMergedOcc 0
13 mol 19 unq 2 iso 1 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 5.03957 11.0366 7.82074 8.73972 6.92532 9.47529 5.18512 6.87842 6.36455 numMergedOcc 0
14 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 10.8007 9.78944 9.56313 6.00439 6.92532 5.18512 9.47529 6.34272 7.48847 numMergedOcc 0
15 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 10.8007 9.56313 9.78944 6.00439 6.92532 9.47529 5.18512 6.34272 7.48847 numMergedOcc 0
16 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 5.24762 6.43774 11.2563 7.06308 9.44459 5.73693 11.6164 5.94047 6.06454 numMergedOcc 0
17 mol 45 unq 0 iso 1 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 5.24762 11.2563 6.43774 7.06308 9.44459 11.6164 5.73693 5.94047 6.06454 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 6.47414 6.64012 13.4544 6.46761 12.5444 6.37648 15.935 9.17656 7.27383 numMergedOcc 0
19 mol 58 unq 0 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 6.47414 13.4544 6.64012 6.46761 12.5444 15.935 6.37648 9.17656 7.27383 numMergedOcc 0
20 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 6.47414 6.64012 13.4544 7.58407 12.5444 6.37648 15.935 10.8775 7.27383 numMergedOcc 0
21 mol 58 unq 1 iso 1 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 6.47414 13.4544 6.64012 7.58407 12.5444 15.935 6.37648 10.8775 7.27383 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 5.4148 10.2049 6.19304 4.65521 7.04044 15.7304 8.26458 11.2505 8.73253 numMergedOcc 0
23 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.4148 6.19304 10.2049 4.65521 7.04044 8.26458 15.7304 11.2505 8.73253 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 5.4148 10.2049 11.6369 4.65521 7.04044 15.7304 8.35241 11.2505 8.73253 numMergedOcc 0
25 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 5.4148 11.6369 10.2049 4.65521 7.04044 8.35241 15.7304 11.2505 8.73253 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 5.4148 6.19304 11.6369 4.65521 7.04044 8.26458 8.35241 11.2505 8.73253 numMergedOcc 0
27 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 5.4148 11.6369 6.19304 4.65521 7.04044 8.35241 8.26458 11.2505 8.73253 numMergedOcc 0
28 mol 85 unq 0 iso 0 dist 7.47541 7.66905 5.42586 7.22293 7.98917 11.6116 6.9948 7.97049 6.19965 9.47876 11.2808 6.37974 5.08358 12.5072 7.1589 numMergedOcc 0
29 mol 85 unq 0 iso 1 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 6.9948 6.19965 7.97049 9.47876 11.2808 5.08358 6.37974 12.5072 7.1589 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 7.47541 5.73196 6.87425 7.22293 7.98917 6.47779 6.9948 7.97049 11.2656 9.47876 11.2808 6.37974 12.9551 12.5072 7.1589 numMergedOcc 0
31 mol 85 unq 1 iso 1 dist 5.73196 7.47541 6.87425 7.22293 6.47779 7.98917 6.9948 11.2656 7.97049 9.47876 11.2808 12.9551 6.37974 12.5072 7.1589 numMergedOcc 0
32 mol 85 unq 1 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 6.9948 6.19965 11.2656 9.47876 11.2808 5.08358 12.9551 12.5072 7.1589 numMergedOcc 0
33 mol 85 unq 1 iso 1 dist 5.73196 7.66905 10.1164 7.22293 6.47779 11.6116 6.9948 11.2656 6.19965 9.47876 11.2808 12.9551 5.08358 12.5072 7.1589 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 7.69052 5.83991 7.88312 8.66155 10.9734 6.4497 7.3094 5.87507 5.72642 numMergedOcc 0
35 mol 115 unq 0 iso 1 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 7.69052 7.88312 5.83991 8.66155 10.9734 7.3094 6.4497 5.87507 5.72642 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 8.80819 11.9139 8.94367 8.79571 13.846 13.1292 9.4027 9.65798 8.20836 numMergedOcc 0
37 mol 134 unq 0 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 13.846 9.4027 13.1292 9.65798 8.20836 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 8.80819 6.49416 12.5075 8.6355 13.9396 8.46636 15.2647 11.9544 5.53031 numMergedOcc 0
39 mol 134 unq 1 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 8.80819 12.5075 6.49416 8.6355 13.9396 15.2647 8.46636 11.9544 5.53031 numMergedOcc 0
40 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.49782 8.94367 9.86662 8.79571 10.873 9.4027 5.12325 9.65798 8.20836 numMergedOcc 0
41 mol 134 unq 2 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.49782 9.86662 8.94367 8.79571 10.873 5.12325 9.4027 9.65798 8.20836 numMergedOcc 0
42 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.00817 6.49416 12.5075 8.6355 10.1537 8.46636 15.2647 11.9544 5.53031 numMergedOcc 0
43 mol 134 unq 3 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.00817 12.5075 6.49416 8.6355 10.1537 15.2647 8.46636 11.9544 5.53031 numMergedOcc 0
44 mol 142 unq 0 iso 0 dist 5.31024 7.26382 5.50998 9.07935 9.49653 7.53854 5.32922 9.2313 7.73169 7.15475 12.432 12.6057 8.38032 5.14959 9.17106 numMergedOcc 0
45 mol 142 unq 0 iso 1 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 5.32922 7.73169 9.2313 7.15475 12.432 8.38032 12.6057 5.14959 9.17106 numMergedOcc 0
46 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 5.22356 8.65997 10.8157 6.95902 8.38865 11.0628 12.9587 5.92529 5.4694 numMergedOcc 0
47 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 5.22356 10.8157 8.65997 6.95902 8.38865 12.9587 11.0628 5.92529 5.4694 numMergedOcc 0
48 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 6.25105 10.3337 11.216 5.88703 12.9605 9.45496 7.85175 8.24186 11.7705 5.63086 13.0974 7.5366 numMergedOcc 0
49 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 5.88703 9.45496 12.9605 7.85175 8.24186 5.63086 11.7705 13.0974 7.5366 numMergedOcc 0
50 mol 234 unq 1 iso 0 dist 8.34494 9.36357 12.1694 6.25105 10.3337 11.4315 5.88703 12.9605 6.7625 7.85175 8.24186 11.7705 5.6819 13.0974 7.5366 numMergedOcc 0
51 mol 234 unq 1 iso 1 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 5.88703 6.7625 12.9605 7.85175 8.24186 5.6819 11.7705 13.0974 7.5366 numMergedOcc 0
52 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 5.88703 9.45496 6.7625 7.85175 8.24186 5.63086 5.6819 13.0974 7.5366 numMergedOcc 0
53 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 5.88703 6.7625 9.45496 7.85175 8.24186 5.6819 5.63086 13.0974 7.5366 numMergedOcc 0
54 mol 234 unq 2 iso 0 dist 9.45496 6.7625 7.82322 7.85175 11.216 11.4315 5.88703 6.56247 9.36357 6.25105 7.5366 5.63086 5.6819 13.0974 8.24186 numMergedOcc 0
55 mol 234 unq 2 iso 1 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 5.88703 9.36357 6.56247 6.25105 7.5366 5.6819 5.63086 13.0974 8.24186 numMergedOcc 0
56 mol 236 unq 0 iso 0 dist 8.03456 6.84306 5.79505 7.17676 11.8759 11.3552 7.28249 9.81562 7.68742 5.34718 11.9847 7.22918 9.05842 11.6774 8.50331 numMergedOcc 0
57 mol 236 unq 0 iso 1 dist 6.84306 8.03456 5.79505 7.17676 11.3552 11.8759 7.28249 7.68742 9.81562 5.34718 11.9847 9.05842 7.22918 11.6774 8.50331 numMergedOcc 0
58 mol 236 unq 1 iso 0 dist 8.03456 9.99038 9.90963 7.17676 11.8759 6.04825 7.28249 9.81562 6.27581 5.34718 11.9847 7.22918 7.00028 11.6774 8.50331 numMergedOcc 0
59 mol 236 unq 1 iso 1 dist 9.99038 8.03456 9.90963 7.17676 6.04825 11.8759 7.28249 6.27581 9.81562 5.34718 11.9847 7.00028 7.22918 11.6774 8.50331 numMergedOcc 0
60 mol 236 unq 2 iso 0 dist 8.03456 9.78037 6.96005 7.17676 11.8759 12.6468 7.28249 9.81562 13.499 5.34718 11.9847 7.22918 11.7392 11.6774 8.50331 numMergedOcc 0
61 mol 236 unq 2 iso 1 dist 9.78037 8.03456 6.96005 7.17676 12.6468 11.8759 7.28249 13.499 9.81562 5.34718 11.9847 11.7392 7.22918 11.6774 8.50331 numMergedOcc 0
62 mol 236 unq 3 iso 0 dist 8.03456 8.35971 14.2337 7.17676 11.8759 6.40312 7.28249 9.81562 11.2141 5.34718 11.9847 7.22918 16.3568 11.6774 8.50331 numMergedOcc 0
63 mol 236 unq 3 iso 1 dist 8.35971 8.03456 14.2337 7.17676 6.40312 11.8759 7.28249 11.2141 9.81562 5.34718 11.9847 16.3568 7.22918 11.6774 8.50331 numMergedOcc 0
64 mol 236 unq 1 iso 0 dist 6.84306 9.99038 11.3368 7.17676 11.3552 6.04825 7.28249 7.68742 6.27581 5.34718 11.9847 9.05842 7.00028 11.6774 8.50331 numMergedOcc 0
65 mol 236 unq 1 iso 1 dist 9.99038 6.84306 11.3368 7.17676 6.04825 11.3552 7.28249 6.27581 7.68742 5.34718 11.9847 7.00028 9.05842 11.6774 8.50331 numMergedOcc 0
66 mol 236 unq 2 iso 0 dist 6.84306 9.78037 11.8739 7.17676 11.3552 12.6468 7.28249 7.68742 13.499 5.34718 11.9847 9.05842 11.7392 11.6774 8.50331 numMergedOcc 0
67 mol 236 unq 2 iso 1 dist 9.78037 6.84306 11.8739 7.17676 12.6468 11.3552 7.28249 13.499 7.68742 5.34718 11.9847 11.7392 9.05842 11.6774 8.50331 numMergedOcc 0
68 mol 236 unq 3 iso 0 dist 6.84306 8.35971 14.7998 7.17676 11.3552 6.40312 7.28249 7.68742 11.2141 5.34718 11.9847 9.05842 16.3568 11.6774 8.50331 numMergedOcc 0
69 mol 236 unq 3 iso 1 dist 8.35971 6.84306 14.7998 7.17676 6.40312 11.3552 7.28249 11.2141 7.68742 5.34718 11.9847 16.3568 9.05842 11.6774 8.50331 numMergedOcc 0
70 mol 236 unq 2 iso 0 dist 9.99038 9.78037 11.1557 7.17676 6.04825 12.6468 7.28249 6.27581 13.499 5.34718 11.9847 7.00028 11.7392 11.6774 8.50331 numMergedOcc 0
71 mol 236 unq 2 iso 1 dist 9.78037 9.99038 11.1557 7.17676 12.6468 6.04825 7.28249 13.499 6.27581 5.34718 11.9847 11.7392 7.00028 11.6774 8.50331 numMergedOcc 0
72 mol 236 unq 3 iso 0 dist 9.99038 8.35971 10.7497 7.17676 6.04825 6.40312 7.28249 6.27581 11.2141 5.34718 11.9847 7.00028 16.3568 11.6774 8.50331 numMergedOcc 0
73 mol 236 unq 3 iso 1 dist 8.35971 9.99038 10.7497 7.17676 6.40312 6.04825 7.28249 11.2141 6.27581 5.34718 11.9847 16.3568 7.00028 11.6774 8.50331 numMergedOcc 0
74 mol 236 unq 3 iso 0 dist 9.78037 8.35971 12.0369 7.17676 12.6468 6.40312 7.28249 13.499 11.2141 5.34718 11.9847 11.7392 16.3568 11.6774 8.50331 numMergedOcc 0
75 mol 236 unq 3 iso 1 dist 8.35971 9.78037 12.0369 7.17676 6.40312 12.6468 7.28249 11.2141 13.499 5.34718 11.9847 16.3568 11.7392 11.6774 8.50331 numMergedOcc 0
76 mol 276 unq 0 iso 0 dist 9.8993 6.87396 6.88557 8.76347 7.54851 6.4102 8.88126 10.1216 12.3012 9.38971 10.0283 11.3758 11.3441 5.86074 6.70215 numMergedOcc 0
77 mol 276 unq 0 iso 1 dist 6.87396 9.8993 6.88557 8.76347 6.4102 7.54851 8.88126 12.3012 10.1216 9.38971 10.0283 11.3441 11.3758 5.86074 6.70215 numMergedOcc 0
78 mol 276 unq 1 iso 0 dist 9.8993 6.87396 6.88557 8.76347 7.54851 6.4102 5.50479 13.1345 10.1395 8.71541 10.0283 11.3758 11.3441 5.86074 7.23916 numMergedOcc 0
79 mol 276 unq 1 iso 1 dist 6.87396 9.8993 6.88557 8.76347 6.4102 7.54851 5.50479 10.1395 13.1345 8.71541 10.0283 11.3441 11.3758 5.86074 7.23916 numMergedOcc 0
