0 mol 19 unq 0 iso 0 dist 7.20519 6.92532 12.3486 10.8007 15.679 7.48847 7.82528 10.4988 6.34272 6.00439 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.20519 6.92532 12.3486 5.03957 12.1187 6.36455 8.23643 11.0832 6.87842 8.73972 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 6.92532 5.18512 10.8007 9.78944 7.48847 7.82528 5.14627 6.34272 6.00439 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.54938 6.92532 5.18512 5.03957 7.82074 6.36455 8.23643 6.55187 6.87842 8.73972 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 7.82074 6.36455 5.18512 10.6598 9.78944 7.48847 10.2708 5.14627 6.34272 6.00439 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 7.82074 6.36455 5.18512 5.03957 4.54938 6.92532 12.6444 10.9543 15.1136 8.78293 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 7.82074 6.36455 5.18512 5.03957 4.54938 6.92532 8.73972 6.55187 6.87842 8.23643 numMergedOcc 0
7 mol 19 unq 7 iso 0 dist 7.82074 6.36455 5.18512 5.03957 4.54938 6.92532 10.2708 5.14627 6.34272 7.82528 numMergedOcc 0
8 mol 19 unq 8 iso 0 dist 6.864 6.92532 9.47529 10.8007 9.56313 7.48847 7.82528 4.69858 6.34272 6.00439 numMergedOcc 0
9 mol 19 unq 9 iso 0 dist 6.864 6.92532 9.47529 5.03957 11.0366 6.36455 8.23643 12.3093 6.87842 8.73972 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 7.57578 6.90155 9.36158 10.6808 13.7311 5.81959 16.7035 17.5285 9.96732 7.685 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 7.17969 6.90155 10.1525 10.6808 12.9968 5.81959 16.7035 18.1526 9.96732 7.685 numMergedOcc 0
12 mol 45 unq 0 iso 0 dist 6.43774 6.06454 5.73693 5.24762 7.2846 9.44459 7.06308 4.71384 5.94047 6.34173 numMergedOcc 0
13 mol 45 unq 1 iso 0 dist 7.2846 9.44459 5.73693 5.24762 6.43774 6.06454 6.34173 4.71384 5.94047 7.06308 numMergedOcc 0
14 mol 45 unq 2 iso 0 dist 7.58835 9.44459 11.6164 5.24762 11.2563 6.06454 6.34173 5.67689 5.94047 7.06308 numMergedOcc 0
15 mol 70 unq 0 iso 0 dist 9.65964 6.54023 9.03317 5.22626 10.1773 9.31969 7.92394 6.65811 11.6542 8.33704 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 5.4148 10.2049 8.73253 8.70133 13.4082 11.2505 4.65521 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 9.96396 7.04044 8.26458 5.4148 6.19304 8.73253 8.70133 7.41074 11.2505 4.65521 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 5.4148 9.96396 7.04044 4.65521 7.41074 11.2505 8.70133 numMergedOcc 0
19 mol 73 unq 3 iso 0 dist 8.70481 8.85586 14.8866 8.07446 16.0098 5.16364 13.6145 19.5995 5.69513 7.13087 numMergedOcc 0
20 mol 73 unq 4 iso 0 dist 9.75218 7.04044 8.35241 5.4148 11.6369 8.73253 8.70133 15.9882 11.2505 4.65521 numMergedOcc 0
21 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 4.26409 6.19965 7.1589 13.6587 11.6116 12.5072 9.47876 numMergedOcc 0
22 mol 109 unq 0 iso 0 dist 8.69985 5.34214 9.14441 4.98336 13.4572 7.55384 5.87358 9.46098 5.94311 9.20981 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 8.40312 8.86329 5.89022 5.55373 7.12972 8.71039 12.5969 6.19596 8.15392 8.6243 numMergedOcc 0
24 mol 131 unq 1 iso 0 dist 7.12972 6.92648 9.32969 6.63273 6.85062 9.29384 8.6243 6.19596 6.01893 6.91348 numMergedOcc 0
25 mol 131 unq 2 iso 0 dist 7.12972 6.92648 9.32969 6.63273 6.85062 9.29384 12.9472 6.6499 15.1974 9.51418 numMergedOcc 0
26 mol 131 unq 3 iso 0 dist 6.85062 9.29384 9.32969 6.63273 7.12972 6.92648 6.91348 6.19596 6.01893 8.6243 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 9.09537 7.20392 5.93488 10.1912 5.98885 6.51749 14.4632 5.86342 10.4684 6.94688 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 9.09537 7.20392 5.93488 10.1912 5.98885 6.51749 15.4777 9.14057 12.69 6.71012 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.22356 8.65997 5.4694 13.4493 14.6185 5.23507 9.62609 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 5.22356 8.65997 5.4694 8.17891 6.43754 5.92529 6.95902 numMergedOcc 0
31 mol 227 unq 2 iso 0 dist 8.65997 5.4694 11.0628 5.22356 7.22101 8.38865 6.95902 6.43754 5.92529 8.17891 numMergedOcc 0
32 mol 227 unq 3 iso 0 dist 7.09863 8.38865 12.9587 5.22356 10.8157 5.4694 13.4493 17.2469 5.23507 9.62609 numMergedOcc 0
33 mol 227 unq 4 iso 0 dist 7.09863 8.38865 12.9587 5.22356 10.8157 5.4694 8.17891 9.13836 5.92529 6.95902 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 8.34494 8.24186 11.7705 5.88703 12.9605 7.5366 10.3388 15.6589 16.5499 9.5707 numMergedOcc 0
35 mol 234 unq 1 iso 0 dist 8.34494 8.24186 11.7705 5.88703 12.9605 7.5366 6.25105 10.3337 13.0974 7.85175 numMergedOcc 0
36 mol 234 unq 2 iso 0 dist 6.56247 8.24186 5.63086 5.88703 9.45496 7.5366 10.3388 15.9563 16.5499 9.5707 numMergedOcc 0
37 mol 234 unq 3 iso 0 dist 6.56247 8.24186 5.63086 5.88703 9.45496 7.5366 6.25105 11.216 13.0974 7.85175 numMergedOcc 0
38 mol 234 unq 4 iso 0 dist 9.36357 8.24186 5.6819 5.88703 6.7625 7.5366 10.3388 14.4106 16.5499 9.5707 numMergedOcc 0
39 mol 234 unq 5 iso 0 dist 9.36357 8.24186 5.6819 5.88703 6.7625 7.5366 6.25105 11.4315 13.0974 7.85175 numMergedOcc 0
40 mol 234 unq 6 iso 0 dist 9.45496 7.5366 5.63086 5.88703 6.56247 8.24186 7.85175 11.216 13.0974 6.25105 numMergedOcc 0
41 mol 234 unq 7 iso 0 dist 6.7625 7.5366 5.6819 5.88703 9.36357 8.24186 7.85175 11.4315 13.0974 6.25105 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 10.0191 13.5431 6.66971 10.7386 14.2103 5.8333 9.90142 numMergedOcc 0
43 mol 238 unq 1 iso 0 dist 5.72887 7.32982 12.3808 10.1648 12.8711 6.4398 9.29858 13.069 6.48619 9.68513 numMergedOcc 0
44 mol 238 unq 2 iso 0 dist 5.72887 7.32982 12.3808 10.1648 12.8711 6.4398 10.7386 14.2103 5.8333 5.9216 numMergedOcc 0
45 mol 248 unq 0 iso 0 dist 7.21521 9.77666 5.99459 5.55137 7.69895 6.17052 11.9152 10.1857 6.53154 8.50864 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 9.98105 12.0576 8.59697 14.5785 16.982 12.1218 6.77938 numMergedOcc 0
47 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 9.98105 12.0576 8.59697 10.4634 13.546 9.22203 7.76676 numMergedOcc 0
