0 mol 48 unq 0 iso 0 dist 8.86877 9.42728 7.21306 7.50273 7.99399 11.4621 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 8.86877 7.93341 4.88983 7.50273 7.99399 10.9627 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.34361 4.38047 5.01159 4.94741 6.10175 5.7405 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 9.33277 6.49521 10.8474 7.81335 9.50176 13.8593 numMergedOcc 0
4 mol 74 unq 1 iso 0 dist 9.33277 6.49521 10.8474 10.8158 7.56791 15.5579 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.96175 8.17655 12.4018 12.4425 8.99379 15.7841 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 9.96175 6.47416 5.71329 12.4425 8.99379 10.9594 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 9.96175 8.0255 9.59013 12.4425 8.99379 16.5046 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 9.54782 5.91009 11.351 8.35832 9.37024 11.1569 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 9.28645 5.42828 5.54999 9.10324 9.37708 10.865 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.27253 8.75431 7.21894 4.07356 9.07096 11.9801 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.53875 7.6793 12.6641 16.3227 9.98097 19.4057 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 9.26812 9.54753 7.93391 7.69346 8.86377 10.2866 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 9.26812 9.54753 7.93391 13.8772 8.47156 15.5691 numMergedOcc 0
14 mol 180 unq 2 iso 0 dist 9.26812 8.79411 10.1364 7.69346 8.86377 14.2471 numMergedOcc 0
15 mol 180 unq 3 iso 0 dist 9.26812 8.79411 10.1364 13.8772 8.47156 18.061 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.99964 5.97968 7.23046 12.0022 8.62543 13.3625 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.93144 8.50382 7.23046 5.67469 8.62543 13.3625 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 7.04782 9.07527 14.9846 4.66206 8.62543 12.6163 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 8.21479 9.41148 13.3182 8.47021 4.46314 16.0042 numMergedOcc 0
20 mol 232 unq 1 iso 0 dist 8.21479 7.83422 8.15893 8.47021 4.46314 6.23146 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 6.41167 8.63176 9.76914 3.95075 6.59521 12.1556 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 6.23198 5.68717 6.93843 8.67927 8.66784 13.3427 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 6.23198 5.68717 6.93843 8.55761 8.3298 11.6023 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 5.75335 6.38341 5.63899 7.38837 9.36052 10.8281 numMergedOcc 0
25 mol 273 unq 1 iso 0 dist 5.75335 9.78826 7.46111 7.38837 9.36052 16.0175 numMergedOcc 0
