0 mol 7 unq 0 iso 0 dist 9.20552 6.49868 7.88043 10.4548 5.99459 8.0744 15.12 12.2708 9.55056 14.144 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.20552 6.49868 7.88043 10.4548 5.99459 8.0744 12.057 6.06176 7.45262 8.81608 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.20552 8.07954 8.80762 10.4548 5.99459 11.7002 15.12 12.2708 7.57354 14.144 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.20552 8.07954 8.80762 10.4548 5.99459 11.7002 12.057 6.06176 6.96586 8.81608 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 5.84326 8.45716 8.63486 11.3819 9.2898 15.8558 13.461 11.2318 8.98797 13.5478 numMergedOcc 0
5 mol 154 unq 0 iso 0 dist 7.34207 6.03671 7.72144 13.1744 8.33439 14.4682 14.9008 13.9336 9.47362 17.5983 numMergedOcc 0
6 mol 154 unq 1 iso 0 dist 7.34207 6.03671 7.72144 13.1744 8.33439 14.4682 5.81632 6.53652 6.28417 14.6576 numMergedOcc 0
7 mol 178 unq 0 iso 0 dist 8.04723 5.24118 4.92088 12.8554 9.11204 7.79894 5.85439 5.25267 5.98771 11.7594 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 9.52413 12.1191 9.83476 6.21482 7.2793 6.38897 13.8614 13.1933 7.94153 11.0523 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 9.52413 12.1191 9.83476 6.47581 9.51091 8.93258 13.8614 13.1933 7.94153 14.1797 numMergedOcc 0
10 mol 186 unq 2 iso 0 dist 9.52413 12.1191 9.83476 16.7739 7.85184 11.924 13.8614 13.1933 7.94153 17.0388 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 7.39185 9.67099 6.60567 4.31898 7.41662 9.48862 18.9596 13.6975 9.79691 18.9952 numMergedOcc 0
12 mol 195 unq 1 iso 0 dist 4.78641 9.33058 6.60567 8.15463 7.41662 9.48862 16.5892 13.6975 9.79691 18.9952 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 9.79816 10.5293 8.06216 15.4347 7.33709 7.4492 5.66171 7.47048 9.67381 12.5343 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 9.79816 10.888 5.76954 15.4347 7.33709 6.57708 14.723 9.68444 6.86795 11.2108 numMergedOcc 0
15 mol 218 unq 2 iso 0 dist 9.79816 10.888 5.76954 15.4347 7.33709 6.57708 5.66171 7.47048 6.61099 12.5343 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 9.93754 9.46577 6.6561 5.30128 6.50998 6.35462 13.4387 8.69249 5.13453 8.91356 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 9.93754 9.46577 6.6561 7.291 9.09424 5.94765 13.4387 8.69249 5.13453 11.0655 numMergedOcc 0
18 mol 225 unq 2 iso 0 dist 9.93754 9.46577 6.6561 15.2642 8.14831 11.2847 13.4387 8.69249 5.13453 13.9144 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 8.97461 11.3332 5.64181 17.3901 9.08509 6.94907 10.3728 10.4664 8.6597 14.4363 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 8.97461 11.3332 5.64181 17.3901 9.08509 6.94907 15.2625 11.2717 7.47235 10.529 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 8.97461 11.3332 5.64181 17.3901 9.08509 6.94907 13.9178 5.17471 6.44735 5.43613 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 8.97461 11.3332 5.64181 17.3901 9.08509 6.94907 12.2479 5.03393 5.91208 7.06768 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 6.94654 9.80929 7.61393 3.55929 9.06592 9.9447 12.298 13.3539 8.6597 12.841 numMergedOcc 0
24 mol 238 unq 5 iso 0 dist 6.94654 9.80929 7.61393 3.55929 9.06592 9.9447 14.7242 14.7509 7.47235 14.0279 numMergedOcc 0
25 mol 238 unq 6 iso 0 dist 6.94654 9.80929 7.61393 3.55929 9.06592 9.9447 15.4716 10.7999 6.44735 16.1497 numMergedOcc 0
26 mol 238 unq 7 iso 0 dist 6.94654 9.80929 7.61393 3.55929 9.06592 9.9447 11.3465 5.49433 5.91208 12.3001 numMergedOcc 0
27 mol 238 unq 8 iso 0 dist 8.89487 11.3332 7.61393 12.7433 9.06592 9.9447 10.3728 13.3539 8.6597 12.841 numMergedOcc 0
28 mol 238 unq 9 iso 0 dist 8.89487 11.3332 7.61393 12.7433 9.06592 9.9447 15.2625 14.7509 7.47235 14.0279 numMergedOcc 0
29 mol 238 unq 10 iso 0 dist 8.89487 11.3332 7.61393 12.7433 9.06592 9.9447 13.9178 10.7999 6.44735 16.1497 numMergedOcc 0
30 mol 238 unq 11 iso 0 dist 8.89487 11.3332 7.61393 12.7433 9.06592 9.9447 12.2479 5.49433 5.91208 12.3001 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 6.65233 6.79049 6.14323 6.04707 8.29262 5.82131 16.0802 12.3807 9.42738 13.8261 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 7.151 6.63088 6.57903 10.3171 9.57499 14.6871 10.4162 9.92201 7.25677 15.7984 numMergedOcc 0
33 mol 277 unq 1 iso 0 dist 8.33977 14.3997 6.57903 5.04761 9.57499 14.6871 17.1323 9.92201 7.25677 15.7984 numMergedOcc 0
