0 mol 37 unq 0 iso 0 dist 8.98177 12.7745 7.65758 12.532 4.68181 6.84337 numMergedOcc 0
1 mol 37 unq 1 iso 0 dist 8.98177 12.7745 7.65758 17.4729 8.64141 8.915 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.52763 3.63144 9.78973 7.23914 4.86374 5.84875 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.67403 17.1697 9.32664 18.3828 11.6535 9.52519 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 7.28917 10.4547 9.32664 15.1646 11.6535 9.52519 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 6.23298 4.31746 6.58279 5.70192 5.52457 9.0008 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 6.23298 4.31746 6.58279 9.65433 5.42811 9.77887 numMergedOcc 0
7 mol 67 unq 2 iso 0 dist 9.85405 7.58981 6.58279 7.65646 5.52457 9.0008 numMergedOcc 0
8 mol 67 unq 3 iso 0 dist 9.85405 7.58981 6.58279 14.4272 5.42811 9.77887 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.93688 11.6798 7.2131 7.57958 5.02124 7.1539 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.93688 12.656 7.44343 11.2639 6.12826 6.72712 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 9.93688 12.656 7.44343 7.57958 5.02124 5.39745 numMergedOcc 0
12 mol 92 unq 3 iso 0 dist 9.88184 11.0631 7.2131 10.8442 5.02124 7.1539 numMergedOcc 0
13 mol 92 unq 4 iso 0 dist 9.88184 14.9487 7.44343 14.5144 6.12826 6.72712 numMergedOcc 0
14 mol 92 unq 5 iso 0 dist 9.88184 14.9487 7.44343 10.8442 5.02124 5.39745 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 8.52125 12.9454 9.95103 7.90328 7.59628 7.09065 numMergedOcc 0
16 mol 103 unq 0 iso 0 dist 6.71671 4.1431 9.5002 8.42487 4.95298 9.07734 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 5.28955 4.09788 6.13508 9.47892 8.00732 7.26955 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 6.95914 13.2639 7.35385 17.3182 10.3678 7.31037 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 5.46716 6.3462 5.75595 10.0323 5.12098 6.97487 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 5.46716 6.3462 5.75595 9.9492 6.50232 6.46089 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 5.55129 5.03347 7.32163 8.07915 5.58057 8.28564 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 5.53778 4.80033 7.42372 7.97801 5.55906 8.39475 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 6.14732 11.032 7.17024 10.2736 9.78034 9.28891 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 7.99525 9.77057 9.92671 7.79085 5.30261 7.10413 numMergedOcc 0
25 mol 232 unq 1 iso 0 dist 9.20965 9.30551 9.92671 6.48753 5.30261 7.10413 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 8.88613 13.1619 6.20377 16.332 10.2924 7.95766 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 5.98006 5.61261 9.69025 13.1236 15.1483 8.71497 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 6.98812 10.7881 7.49913 10.322 4.98228 5.40318 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 5.27236 7.33654 6.1268 10.9642 7.94082 7.36811 numMergedOcc 0
