0 mol 76 unq 0 iso 0 dist 7.41861 6.46582 8.58474 8.78063 14.6364 7.61521 6.4551 10.6009 3.69293 6.97941 numMergedOcc 0
1 mol 122 unq 0 iso 0 dist 9.62551 6.80798 10.4526 4.42285 11.9546 4.42563 9.69426 9.99251 7.90729 8.37808 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 6.65878 7.84813 6.61102 5.56946 8.00624 7.97548 13.5311 15.4586 12.5321 8.54584 numMergedOcc 0
3 mol 129 unq 1 iso 0 dist 6.65878 7.84813 6.61102 6.4379 11.5175 9.9291 13.5311 15.4586 12.5321 8.53613 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 6.9268 4.82356 4.63862 4.84607 9.64659 5.78814 9.3894 10.2681 6.12885 6.5107 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 8.19166 8.83476 4.63862 11.981 9.64659 5.78814 14.1938 10.2681 6.12885 6.5107 numMergedOcc 0
6 mol 167 unq 0 iso 0 dist 8.39087 8.95296 11.1876 6.32863 9.23645 5.36671 12.2455 6.45463 12.8624 9.87651 numMergedOcc 0
7 mol 180 unq 0 iso 0 dist 8.4925 7.58661 9.66916 6.54937 13.6604 9.63576 9.88732 13.9599 4.38407 9.62337 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 9.85777 8.93485 10.5366 4.2475 6.94789 9.31158 13.2057 6.98812 10.8636 9.61492 numMergedOcc 0
9 mol 205 unq 1 iso 0 dist 9.85777 8.93485 10.5366 4.2475 6.94789 9.31158 6.752 12.019 5.42503 7.45763 numMergedOcc 0
10 mol 205 unq 2 iso 0 dist 8.47833 8.93485 6.82382 4.2475 11.2748 9.31158 13.2057 16.5694 10.8636 9.61492 numMergedOcc 0
11 mol 205 unq 3 iso 0 dist 8.47833 8.93485 6.82382 4.2475 11.2748 9.31158 6.752 5.58339 5.42503 7.45763 numMergedOcc 0
12 mol 205 unq 4 iso 0 dist 5.05912 8.93485 9.27501 4.2475 6.23932 9.31158 13.2057 13.4557 10.8636 9.61492 numMergedOcc 0
13 mol 205 unq 5 iso 0 dist 5.05912 8.93485 9.27501 4.2475 6.23932 9.31158 6.752 4.37383 5.42503 7.45763 numMergedOcc 0
14 mol 205 unq 6 iso 0 dist 5.47586 5.66636 6.82382 6.8901 11.2748 9.31158 13.3164 16.5694 10.8636 9.61492 numMergedOcc 0
15 mol 205 unq 7 iso 0 dist 5.47586 5.66636 6.82382 6.8901 11.2748 9.31158 5.4913 5.58339 5.42503 7.45763 numMergedOcc 0
16 mol 205 unq 8 iso 0 dist 6.60429 5.66636 9.27501 6.8901 6.23932 9.31158 13.3164 13.4557 10.8636 9.61492 numMergedOcc 0
17 mol 205 unq 9 iso 0 dist 6.60429 5.66636 9.27501 6.8901 6.23932 9.31158 5.4913 4.37383 5.42503 7.45763 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 5.70065 9.25184 6.59517 3.84723 6.13878 6.85824 8.62103 5.4508 4.29623 6.18308 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 4.87053 4.90656 5.63584 4.82768 8.86173 5.1609 10.8522 12.4229 6.91863 8.01589 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 4.87053 4.90656 5.63584 4.82768 8.86173 5.1609 10.0664 11.3991 8.26703 7.7699 numMergedOcc 0
21 mol 222 unq 2 iso 0 dist 4.87053 4.90656 5.63584 4.82768 8.86173 5.1609 7.85877 9.84386 8.89157 7.21333 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 8.93518 6.69951 12.7942 8.70769 13.8546 8.25897 6.42725 9.50515 5.97386 5.30224 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 9.94957 5.8898 13.1075 5.75478 15.5997 5.7944 9.772 17.2234 7.71667 8.4218 numMergedOcc 0
