0 mol 11 unq 0 iso 0 dist 6.35398 10.7048 9.81983 9.53002 7.5901 4.79838 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.80614 4.59417 6.41008 9.58673 8.88332 8.98478 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.25641 9.57611 9.83914 13.141 5.11693 9.40835 numMergedOcc 0
3 mol 101 unq 0 iso 0 dist 6.98314 6.2696 9.44645 10.6222 7.83985 8.35515 numMergedOcc 0
4 mol 101 unq 1 iso 0 dist 7.61685 10.1773 9.44645 9.57816 7.83985 8.35515 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 6.28565 10.3933 8.98175 11.8081 6.6028 8.86956 numMergedOcc 0
6 mol 135 unq 0 iso 0 dist 5.62052 10.9403 7.02963 14.1481 11.52 9.94534 numMergedOcc 0
7 mol 135 unq 1 iso 0 dist 7.85645 8.06169 7.02963 11.343 11.52 9.94534 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 8.647 6.05019 7.20362 11.8812 6.05893 8.40257 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 8.90963 11.618 9.20617 6.71012 6.03415 7.61421 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 6.03688 6.49049 5.59832 13.7173 11.9538 7.74029 numMergedOcc 0
11 mol 213 unq 0 iso 0 dist 7.73322 4.67313 8.59946 6.0965 10.5013 6.8984 numMergedOcc 0
12 mol 213 unq 1 iso 0 dist 7.73322 4.67313 8.59946 9.59129 9.93085 7.77553 numMergedOcc 0
13 mol 213 unq 2 iso 0 dist 8.14332 7.49785 8.59946 11.5105 10.5013 6.8984 numMergedOcc 0
14 mol 213 unq 3 iso 0 dist 8.14332 7.49785 8.59946 13.8919 9.93085 7.77553 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 8.52587 12.5154 8.09181 12.5979 4.60275 9.85661 numMergedOcc 0
16 mol 274 unq 1 iso 0 dist 6.39866 4.60007 8.09181 9.19234 4.60275 9.85661 numMergedOcc 0
17 mol 278 unq 0 iso 0 dist 8.00673 13.7796 8.1769 12.9186 11.3687 9.94661 numMergedOcc 0
18 mol 278 unq 1 iso 0 dist 6.62841 9.26354 8.1769 14.5534 11.3687 9.94661 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 6.89451 4.21609 7.99204 7.04472 4.481 9.53713 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 6.89451 4.21609 7.99204 7.04472 4.481 9.53713 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 6.89451 4.21609 7.99204 7.04472 4.481 9.53713 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 7.07965 7.22011 5.91617 13.6845 9.06235 9.10627 numMergedOcc 0
