0 mol 15 unq 0 iso 0 dist 6.61158 12.2588 7.12903 10.3458 4.25929 8.28153 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.97117 5.3315 6.73162 11.2671 8.62111 7.98005 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.97117 5.3315 6.73162 7.89667 9.18438 8.31381 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.88576 14.4244 8.68559 11.3457 4.84198 8.91596 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.07582 10.6118 7.87814 14.2697 9.64347 5.25027 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 9.07582 10.6118 7.87814 10.4055 4.39784 4.37025 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 8.0578 11.1675 7.20326 14.563 6.69019 7.78789 numMergedOcc 0
7 mol 117 unq 1 iso 0 dist 8.0578 11.1675 7.20326 6.01857 4.18875 7.42146 numMergedOcc 0
8 mol 117 unq 2 iso 0 dist 8.78982 6.7814 7.20326 9.30187 6.69019 7.78789 numMergedOcc 0
9 mol 117 unq 3 iso 0 dist 8.78982 6.7814 7.20326 11.0312 4.18875 7.42146 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.95838 7.38295 7.39889 8.42225 3.71283 4.80684 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 9.47892 9.58951 7.39889 9.72764 3.71283 4.80684 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 9.90096 5.59449 6.91348 13.8709 6.25029 8.80895 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.70025 6.20895 7.37327 13.944 7.66761 8.29467 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 7.52171 10.2633 6.47873 15.1012 13.3106 9.52922 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 8.27907 10.2817 7.18041 11.0189 4.24855 6.1896 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 8.27907 10.2817 7.18041 10.828 5.31276 6.09255 numMergedOcc 0
17 mol 218 unq 2 iso 0 dist 7.90156 11.7195 7.17547 17.0652 10.7049 6.1896 numMergedOcc 0
18 mol 218 unq 3 iso 0 dist 7.90156 11.7195 7.17547 11.929 4.36581 6.09255 numMergedOcc 0
19 mol 219 unq 0 iso 0 dist 7.1158 5.0241 4.87541 12.8918 5.88671 9.64116 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 7.35476 4.82768 6.82208 4.90656 3.72064 5.1609 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 6.24435 6.76977 6.05141 10.0032 3.94343 8.94231 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 6.24435 10.4548 8.09066 10.0032 3.94343 8.88652 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 6.24435 10.7712 7.2766 10.0032 3.94343 6.46771 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.53092 12.7699 8.37865 17.1139 10.5148 9.18798 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 9.53092 12.7699 8.37865 18.7574 11.0001 8.25897 numMergedOcc 0
