0 mol 25 unq 0 iso 0 dist 9.87281 8.27137 14.1577 6.17631 7.31767 11.4732 13.4756 8.43188 16.2532 7.685 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.63928 8.27137 14.321 6.17631 6.03987 11.4732 13.4756 10.3635 16.2532 7.685 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.7522 9.90986 7.11305 15.0931 8.34347 14.8317 17.1125 11.887 18.7926 9.16962 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 6.88695 9.63803 8.25132 5.3315 8.34347 13.6027 9.97117 7.23546 14.2987 6.73162 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.36193 8.85156 4.23671 5.40367 6.62496 10.2845 11.074 10.2241 10.3317 9.58673 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 4.88613 8.85156 5.6823 5.40367 6.35756 10.2845 11.074 7.05413 10.3317 9.58673 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 6.65344 8.35477 3.98306 13.1729 7.71095 10.5771 10.6421 5.3525 5.85541 8.24062 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 6.75472 5.83991 10.5599 13.1716 10.9739 15.1254 7.76729 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 14.0848 11.7126 13.2709 6.99777 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 9.26862 4.62962 5.53947 9.14376 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 7.95871 9.79864 9.62029 4.86477 6.11741 9.13312 12.2966 4.61908 10.5633 9.66954 numMergedOcc 0
11 mol 115 unq 4 iso 0 dist 7.95871 9.79864 9.62029 4.86477 6.11741 9.13312 10.1292 10.8939 5.63623 7.64585 numMergedOcc 0
12 mol 115 unq 5 iso 0 dist 7.95871 9.79864 9.62029 12.0354 7.88312 14.3246 12.2966 4.61908 10.5633 8.66155 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 6.90827 6.78655 3.55765 10.4485 7.90328 10.4223 9.58171 4.91401 5.56883 6.62561 numMergedOcc 0
14 mol 117 unq 1 iso 0 dist 6.90827 6.78655 3.55765 5.27151 7.83136 8.19331 9.58171 4.91401 5.56883 7.63616 numMergedOcc 0
15 mol 117 unq 2 iso 0 dist 8.90977 9.42037 3.55765 13.8755 7.90328 10.4223 13.2996 4.91401 5.56883 6.62561 numMergedOcc 0
16 mol 117 unq 3 iso 0 dist 8.90977 9.42037 3.55765 10.6616 7.83136 8.19331 13.2996 4.91401 5.56883 7.63616 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 6.18763 9.10803 9.85023 5.3154 6.18601 13.6983 12.0315 9.35964 16.5122 9.80862 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 6.18763 9.10803 9.85023 5.3154 6.18601 13.6983 10.2497 10.3457 16.2726 8.43904 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 8.44385 9.10803 12.4829 12.1192 9.87172 20.14 16.7922 11.7228 21.999 9.38288 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 8.44385 9.10803 12.4829 12.1192 9.87172 20.14 10.2497 6.35763 16.2726 6.19042 numMergedOcc 0
21 mol 119 unq 4 iso 0 dist 8.44385 9.10803 12.4829 12.1192 9.87172 20.14 13.4009 7.36192 19.3551 7.44174 numMergedOcc 0
22 mol 119 unq 5 iso 0 dist 5.63005 9.10803 8.84069 10.5268 8.73993 16.2889 13.4009 10.6679 19.3551 9.63176 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 6.31125 9.10434 3.98662 4.29914 7.12972 10.0551 9.90096 6.19596 9.23774 8.6243 numMergedOcc 0
24 mol 131 unq 1 iso 0 dist 6.31125 9.10434 3.98662 5.59449 6.85062 10.7579 9.90096 6.19596 9.23774 6.91348 numMergedOcc 0
25 mol 131 unq 2 iso 0 dist 6.31125 9.10434 3.98662 5.59449 6.85062 10.7579 10.3644 6.6499 7.17459 9.51418 numMergedOcc 0
26 mol 132 unq 0 iso 0 dist 8.7366 9.98509 4.04586 4.90475 7.7059 9.64688 10.9124 9.92344 12.2433 6.03703 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 7.85877 8.86886 8.34852 4.82768 7.21333 12.0171 7.35476 12.2813 13.6834 6.82208 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 9.98893 8.95269 13.2325 14.5909 9.36098 16.0684 7.06793 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 9.98893 8.95269 13.2325 11.3096 5.29877 10.9705 6.67585 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 11.3096 5.29877 10.9705 6.65984 numMergedOcc 0
31 mol 224 unq 3 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 11.3096 6.12232 10.9705 6.65984 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 9.07872 7.90991 13.2135 9.9474 7.09863 16.9681 16.431 9.13836 21.5979 8.17891 numMergedOcc 0
33 mol 236 unq 0 iso 0 dist 6.11137 9.94117 10.5937 15.1664 9.99038 19.0739 9.91572 6.04825 16.6292 7.17676 numMergedOcc 0
34 mol 236 unq 1 iso 0 dist 6.11137 9.94117 10.5937 15.1664 9.99038 19.0739 14.8319 8.8265 17.1332 6.68463 numMergedOcc 0
35 mol 236 unq 2 iso 0 dist 6.11137 9.94117 10.5937 9.01197 6.27581 15.106 9.91572 6.04825 16.6292 5.34718 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.94315 7.13727 7.06793 12.521 5.72887 9.72188 12.9182 13.069 11.7938 9.29858 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 8.59074 8.56975 7.06793 9.18011 5.72887 9.72188 9.77231 13.069 11.7938 9.29858 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 5.59901 5.30224 6.9899 10.5745 4.99891 9.2872 6.77938 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 9.12507 4.95855 7.09907 5.59901 5.30224 6.9899 8.46351 5.32839 4.61451 7.76676 numMergedOcc 0
40 mol 259 unq 2 iso 0 dist 9.12507 7.72489 9.71793 5.59901 5.30224 10.4017 10.5745 4.99891 11.3692 6.77938 numMergedOcc 0
41 mol 259 unq 3 iso 0 dist 9.12507 7.72489 9.71793 5.59901 5.30224 10.4017 8.46351 5.32839 5.56602 7.76676 numMergedOcc 0
