0 mol 11 unq 0 iso 0 dist 5.7435 11.1513 9.53002 9.79134 8.01262 16.7805 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.7435 11.1513 9.53002 8.98102 6.58046 3.56133 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.7522 11.7823 6.73162 3.30063 7.98005 8.62111 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.7522 11.7823 6.73162 8.44515 8.31381 9.18438 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.38387 6.35048 9.83618 4.15592 9.02471 10.4465 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 4.88613 9.80755 8.89374 6.09663 7.17488 4.43437 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.06168 4.65267 7.13087 15.6688 8.62079 15.7104 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.67532 13.4661 7.13087 8.22845 8.62079 15.7104 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 9.72689 7.10144 8.66514 3.48087 9.07128 3.99025 numMergedOcc 0
9 mol 88 unq 1 iso 0 dist 9.72689 7.10144 8.66514 10.0091 6.65615 6.69123 numMergedOcc 0
10 mol 88 unq 2 iso 0 dist 9.72689 9.32959 9.25235 3.48087 9.07128 6.08504 numMergedOcc 0
11 mol 88 unq 3 iso 0 dist 9.72689 9.32959 9.25235 10.0091 6.65615 3.77436 numMergedOcc 0
12 mol 88 unq 4 iso 0 dist 7.74197 10.0278 8.66514 12.4888 9.07128 3.99025 numMergedOcc 0
13 mol 88 unq 5 iso 0 dist 7.74197 10.0278 8.66514 6.15983 6.65615 6.69123 numMergedOcc 0
14 mol 88 unq 6 iso 0 dist 7.74197 8.37153 9.25235 12.4888 9.07128 6.08504 numMergedOcc 0
15 mol 88 unq 7 iso 0 dist 7.74197 8.37153 9.25235 6.15983 6.65615 3.77436 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 7.91337 6.02826 7.39889 3.80816 4.80684 3.71283 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 7.81337 6.25099 6.91348 3.97269 8.80895 6.25029 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 7.81337 14.8295 9.51418 3.97269 8.80895 13.4297 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 8.07256 6.51591 9.13561 12.8334 9.00072 11.2183 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.84952 11.14 7.98142 3.59953 8.29467 9.55459 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 9.84952 10.9006 7.37327 3.59953 8.29467 7.66761 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 8.5119 9.20149 7.18041 6.03974 6.1896 4.24855 numMergedOcc 0
23 mol 218 unq 1 iso 0 dist 8.5119 9.20149 7.18041 8.65933 6.09255 5.31276 numMergedOcc 0
24 mol 218 unq 2 iso 0 dist 8.5119 11.711 7.17547 6.03974 6.1896 10.7049 numMergedOcc 0
25 mol 218 unq 3 iso 0 dist 8.5119 11.711 7.17547 8.65933 6.09255 4.36581 numMergedOcc 0
26 mol 218 unq 4 iso 0 dist 7.73315 12.9902 8.53199 14.9642 7.84952 6.19774 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 9.55777 5.78005 6.82208 9.08651 5.1609 3.72064 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 9.11256 14.9183 9.58736 3.76405 8.08965 14.2299 numMergedOcc 0
29 mol 235 unq 1 iso 0 dist 7.08539 4.28284 9.58736 12.0808 8.08965 14.2299 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 9.32451 4.81145 6.05141 4.71803 8.94231 3.94343 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 7.67598 9.40096 5.24676 8.46364 4.80903 3.89364 numMergedOcc 0
32 mol 257 unq 0 iso 0 dist 7.82899 7.37187 7.14834 11.7751 9.6834 4.46167 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 9.12507 4.09442 8.37865 10.6139 9.18798 10.5148 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 9.12507 4.09442 8.37865 9.58753 8.25897 11.0001 numMergedOcc 0
35 mol 266 unq 0 iso 0 dist 8.59986 10.0609 9.02188 9.9168 8.97531 12.3522 numMergedOcc 0
36 mol 270 unq 0 iso 0 dist 7.82003 6.41275 8.25349 4.67653 8.86399 5.8989 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 9.29635 13.8592 9.41725 7.31817 4.9764 13.6468 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 9.29635 13.8592 9.41725 3.91224 6.36559 13.3297 numMergedOcc 0
