0 mol 18 unq 0 iso 0 dist 8.51213 9.7728 15.8027 11.0081 9.51761 17.2296 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.51213 9.7728 15.8027 11.3758 7.3094 20.7188 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.13365 7.63824 9.76111 10.5449 6.86014 12.6643 numMergedOcc 0
3 mol 51 unq 0 iso 0 dist 8.99612 6.64146 4.63184 10.2637 9.0709 11.7843 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.04163 6.16745 3.85805 6.34076 5.93252 9.10566 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.32453 8.63792 3.69293 8.18176 6.97941 7.61521 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 9.17862 7.97266 4.23405 15.821 7.27724 11.0573 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 8.27456 9.98215 17.0418 9.7565 7.27724 16.2942 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 8.13273 4.81841 4.73066 6.56354 9.03572 7.51733 numMergedOcc 0
9 mol 95 unq 3 iso 0 dist 8.13273 4.81841 4.73066 6.68919 8.83255 9.01607 numMergedOcc 0
10 mol 95 unq 4 iso 0 dist 8.13273 4.81841 4.73066 14.1434 8.03644 11.5898 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 9.60425 5.94465 11.1642 5.17524 9.84395 10.1696 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 8.20009 5.56598 5.61274 10.7527 8.75408 12.0528 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 8.20009 5.56598 5.61274 5.6257 6.44653 7.53694 numMergedOcc 0
14 mol 120 unq 2 iso 0 dist 8.14799 5.39792 5.61274 9.8469 8.75408 12.0528 numMergedOcc 0
15 mol 120 unq 3 iso 0 dist 8.14799 5.39792 5.61274 5.0256 6.44653 7.53694 numMergedOcc 0
16 mol 120 unq 4 iso 0 dist 8.14799 8.44206 3.35803 9.8469 8.75408 10.8176 numMergedOcc 0
17 mol 120 unq 5 iso 0 dist 8.14799 8.44206 3.35803 5.0256 6.44653 8.38358 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 7.00798 8.42277 12.7464 5.57978 8.54584 13.0143 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 7.00798 8.42277 12.7464 6.05033 8.53613 14.3835 numMergedOcc 0
20 mol 129 unq 2 iso 0 dist 7.00798 6.26653 10.1964 5.57978 8.54584 10.4172 numMergedOcc 0
21 mol 129 unq 3 iso 0 dist 7.00798 6.26653 10.1964 6.05033 8.53613 12.2645 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 6.53153 6.01995 5.81903 5.78974 9.91388 11.6108 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 6.29975 6.01995 6.12885 4.90674 6.5107 5.78814 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 6.29975 6.01995 6.12885 5.78974 9.52634 11.6108 numMergedOcc 0
25 mol 133 unq 3 iso 0 dist 8.29673 6.01995 11.0915 5.78974 7.24514 11.6108 numMergedOcc 0
26 mol 133 unq 4 iso 0 dist 8.29673 6.01995 11.0915 9.35671 8.22656 13.861 numMergedOcc 0
27 mol 178 unq 0 iso 0 dist 5.41229 6.3472 4.69387 4.51874 6.69288 4.72821 numMergedOcc 0
28 mol 178 unq 1 iso 0 dist 8.57378 6.3472 3.70233 4.51874 6.43573 4.72821 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 6.43406 7.24832 6.13927 10.9813 7.81386 8.29467 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 6.04106 6.2669 4.30308 12.9245 7.26832 9.44789 numMergedOcc 0
31 mol 210 unq 0 iso 0 dist 7.86668 8.20259 9.97638 5.06314 6.18308 11.1783 numMergedOcc 0
32 mol 264 unq 0 iso 0 dist 9.00498 6.67548 10.4585 5.7052 9.17653 11.4804 numMergedOcc 0
33 mol 264 unq 1 iso 0 dist 9.00498 5.57579 8.25406 5.7052 9.17653 10.384 numMergedOcc 0
