0 mol 28 unq 0 iso 0 dist 6.75443 8.85208 13.1749 9.86606 12.0167 8.71168 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.84283 5.66828 3.97968 5.81034 12.0167 8.48456 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.02508 8.85208 17.8219 9.86606 16.0209 8.71168 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 9.04621 7.61643 15.7682 12.0744 18.0711 8.71168 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 8.44081 8.85208 15.7682 9.86606 18.0711 8.71168 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 9.49156 9.46633 15.6461 13.6455 21.8134 8.03504 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 9.49156 9.46633 15.6461 11.2058 19.3422 7.87739 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 7.15006 9.05293 5.46484 10.5363 13.0039 9.8089 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 3.90209 7.40481 10.386 11.3093 12.6576 6.62952 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 3.90209 7.40481 10.386 6.41542 7.80347 4.3521 numMergedOcc 0
10 mol 99 unq 0 iso 0 dist 8.0642 9.49001 5.25531 9.15595 12.3947 9.39801 numMergedOcc 0
11 mol 99 unq 1 iso 0 dist 8.0642 9.49001 5.25531 6.73829 8.82497 6.02154 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 9.3164 8.99568 10.627 10.6342 14.9184 8.99714 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 6.01062 7.38306 8.33568 4.74273 9.48469 7.85183 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 8.63202 7.38306 9.88447 4.74273 11.5449 7.85183 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 6.03801 8.39237 8.24186 15.2663 15.5851 9.60838 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 5.24705 5.8391 7.8719 6.03168 9.69783 9.23669 numMergedOcc 0
17 mol 228 unq 0 iso 0 dist 9.87391 8.27678 10.3267 5.37564 14.1497 8.09971 numMergedOcc 0
18 mol 228 unq 1 iso 0 dist 9.94292 8.26664 9.40554 5.52794 11.7578 6.97798 numMergedOcc 0
19 mol 228 unq 2 iso 0 dist 8.5499 9.33596 9.40554 5.56223 11.7578 6.97798 numMergedOcc 0
20 mol 228 unq 3 iso 0 dist 9.79674 8.73196 10.6813 10.0503 16.904 8.09971 numMergedOcc 0
21 mol 228 unq 4 iso 0 dist 9.79674 9.68484 9.40554 7.50953 11.7578 6.97798 numMergedOcc 0
22 mol 228 unq 5 iso 0 dist 9.53671 8.26664 10.3434 5.52794 12.9165 6.97798 numMergedOcc 0
23 mol 228 unq 6 iso 0 dist 9.72673 8.27678 9.46822 5.37564 10.9624 8.09971 numMergedOcc 0
24 mol 228 unq 7 iso 0 dist 9.82472 9.75578 9.46822 6.19505 10.9624 8.09971 numMergedOcc 0
25 mol 228 unq 8 iso 0 dist 9.82472 8.52422 10.8195 9.3381 16.3499 6.97798 numMergedOcc 0
26 mol 241 unq 0 iso 0 dist 8.67571 8.92649 5.4733 5.14928 9.86427 8.00841 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 8.90779 6.77411 6.20372 6.0421 12.196 7.2154 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 7.77703 9.64956 11.9007 11.4415 17.3055 9.65711 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 9.65416 8.36667 11.9196 4.72279 14.1613 8.71966 numMergedOcc 0
30 mol 279 unq 1 iso 0 dist 9.65416 6.74021 8.87149 5.33357 9.02359 8.52827 numMergedOcc 0
31 mol 279 unq 2 iso 0 dist 9.65416 6.74021 8.87149 9.67694 10.7139 7.14122 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 9.62793 9.53867 10.154 14.7732 18.6319 9.24592 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 9.62793 9.53867 10.154 14.7732 18.6319 9.24592 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 9.62793 9.53867 10.154 14.7732 18.6319 9.24592 numMergedOcc 0
