0 mol 7 unq 0 iso 0 dist 9.20552 14.3372 6.8464 15.1647 8.41585 5.0893 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.64855 9.79416 5.36937 15.5387 9.58196 6.03847 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 7.94714 7.06234 7.73217 11.2303 9.04767 4.75873 numMergedOcc 0
3 mol 14 unq 2 iso 0 dist 7.94714 7.83211 5.99703 11.2303 9.04767 6.03847 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.06275 9.83489 8.03754 5.5249 8.80331 14.0204 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.06275 9.83489 8.03754 10.4413 6.20293 13.1056 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 8.90024 14.6778 8.03754 13.9129 8.80331 14.0204 numMergedOcc 0
7 mol 43 unq 3 iso 0 dist 8.90024 14.6778 8.03754 5.84171 6.20293 13.1056 numMergedOcc 0
8 mol 43 unq 4 iso 0 dist 6.78532 5.9674 9.47348 5.84171 8.93915 9.92508 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 5.50504 8.01646 8.44473 7.62418 6.65721 11.2947 numMergedOcc 0
10 mol 61 unq 1 iso 0 dist 5.50504 8.01646 8.44473 6.53977 6.72123 4.78811 numMergedOcc 0
11 mol 70 unq 0 iso 0 dist 6.77833 5.81368 9.74802 5.33532 9.65964 5.43139 numMergedOcc 0
12 mol 70 unq 1 iso 0 dist 9.83265 3.88245 9.74802 7.6455 9.65964 5.43139 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 9.29446 5.64101 5.68286 11.2307 7.9245 5.73349 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 9.26438 16.2476 9.41191 5.68669 8.69985 12.7291 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 6.43255 9.88245 9.41191 6.80429 8.69985 12.7291 numMergedOcc 0
16 mol 109 unq 2 iso 0 dist 7.4389 4.83143 9.41191 12.3794 8.69985 12.7291 numMergedOcc 0
17 mol 122 unq 0 iso 0 dist 8.47907 14.9119 8.75778 9.75696 8.37808 9.00329 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 8.66715 16.6927 9.1146 14.0905 7.11802 11.0256 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 8.95433 4.42593 9.1146 11.0811 7.11802 11.0256 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.84656 15.0514 6.48328 10.879 6.37586 10.0911 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 8.84656 15.0514 6.48328 16.7911 9.71307 9.66197 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 4.9155 12.4563 8.86784 9.30817 6.54501 5.15251 numMergedOcc 0
23 mol 134 unq 3 iso 0 dist 4.9155 12.4563 8.86784 10.879 6.49416 6.65283 numMergedOcc 0
24 mol 134 unq 4 iso 0 dist 8.49987 10.0977 8.86784 6.47843 6.54501 5.15251 numMergedOcc 0
25 mol 134 unq 5 iso 0 dist 8.49987 10.0977 8.86784 10.9399 6.49416 6.65283 numMergedOcc 0
26 mol 134 unq 6 iso 0 dist 9.42271 10.9017 8.86784 6.16353 6.54501 5.15251 numMergedOcc 0
27 mol 134 unq 7 iso 0 dist 9.42271 10.9017 8.86784 7.07625 6.49416 6.65283 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 8.34839 8.6893 8.41774 5.65129 8.56324 13.1435 numMergedOcc 0
29 mol 152 unq 1 iso 0 dist 8.34839 8.6893 8.41774 10.5295 6.70283 13.793 numMergedOcc 0
30 mol 152 unq 2 iso 0 dist 8.34839 8.6893 8.41774 10.7929 7.16148 11.2124 numMergedOcc 0
31 mol 167 unq 0 iso 0 dist 6.53913 13.5763 9.23645 12.4033 9.87651 6.45463 numMergedOcc 0
32 mol 178 unq 0 iso 0 dist 8.04723 8.33307 9.63185 14.4072 6.69288 14.4816 numMergedOcc 0
33 mol 178 unq 1 iso 0 dist 8.04723 8.33307 9.63185 13.0519 6.43573 10.2893 numMergedOcc 0
34 mol 178 unq 2 iso 0 dist 8.04723 8.33307 9.63185 10.5681 7.17202 9.7684 numMergedOcc 0
35 mol 178 unq 3 iso 0 dist 8.04723 8.33307 9.63185 9.1499 8.81551 5.37264 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 8.57514 8.8747 6.94789 5.56395 9.61492 6.98812 numMergedOcc 0
37 mol 205 unq 1 iso 0 dist 8.57514 8.8747 6.94789 12.397 7.45763 12.019 numMergedOcc 0
38 mol 205 unq 2 iso 0 dist 8.57514 12.2424 6.23932 5.56395 9.61492 13.4557 numMergedOcc 0
39 mol 205 unq 3 iso 0 dist 8.57514 12.2424 6.23932 12.397 7.45763 4.37383 numMergedOcc 0
40 mol 205 unq 4 iso 0 dist 6.11505 9.55713 6.94789 9.35174 9.61492 6.98812 numMergedOcc 0
41 mol 205 unq 5 iso 0 dist 6.11505 9.55713 6.94789 11.3225 7.45763 12.019 numMergedOcc 0
42 mol 205 unq 6 iso 0 dist 6.11505 9.51216 6.23932 9.35174 9.61492 13.4557 numMergedOcc 0
43 mol 205 unq 7 iso 0 dist 6.11505 9.51216 6.23932 11.3225 7.45763 4.37383 numMergedOcc 0
44 mol 210 unq 0 iso 0 dist 8.58471 12.9787 6.13878 10.3518 6.18308 5.4508 numMergedOcc 0
45 mol 220 unq 0 iso 0 dist 8.14644 5.41585 5.39218 12.2116 9.23153 13.3213 numMergedOcc 0
46 mol 220 unq 1 iso 0 dist 8.14644 5.41585 5.39218 12.2916 8.24498 11.4842 numMergedOcc 0
47 mol 229 unq 0 iso 0 dist 6.88694 5.19315 8.83023 6.52416 7.03423 9.15968 numMergedOcc 0
48 mol 229 unq 1 iso 0 dist 6.88694 5.19315 8.83023 11.1919 9.06952 10.6678 numMergedOcc 0
49 mol 236 unq 0 iso 0 dist 8.95071 5.81446 5.90804 18.4732 9.99038 13.6195 numMergedOcc 0
50 mol 236 unq 1 iso 0 dist 8.95071 5.81446 5.90804 12.8358 6.27581 7.45579 numMergedOcc 0
51 mol 277 unq 0 iso 0 dist 7.23956 10.2688 4.81916 15.6875 9.7748 7.94155 numMergedOcc 0
