0 mol 16 unq 0 iso 0 dist 5.77753 5.38671 7.03948 5.45161 5.47769 6.92781 11.3479 9.87867 6.42835 11.0298 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.77753 5.38671 7.03948 5.45161 5.47769 6.92781 8.63347 4.68733 6.57331 8.43054 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 5.77753 5.38671 7.03948 6.43294 6.58035 10.7015 11.3479 9.87867 6.42835 15.3667 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 5.77753 5.38671 7.03948 6.43294 6.58035 10.7015 8.63347 4.68733 6.57331 11.1513 numMergedOcc 0
4 mol 16 unq 4 iso 0 dist 5.77753 5.45161 5.47769 5.38671 7.03948 6.92781 8.63347 4.68733 8.43054 6.57331 numMergedOcc 0
5 mol 16 unq 5 iso 0 dist 5.77753 5.45161 5.47769 6.43294 6.58035 5.32694 8.63347 4.68733 8.43054 11.1513 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 6.94727 5.2876 6.99408 5.28153 9.3403 6.11102 8.81519 4.51883 5.94756 10.7728 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.4154 10.4716 8.70133 8.04817 5.64598 7.4697 10.1662 6.15714 9.73086 10.9476 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.4154 10.4716 8.70133 5.2774 4.65521 5.4148 10.1662 6.15714 9.73086 7.4369 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 6.4154 5.2774 4.65521 10.4716 8.70133 5.4148 9.71578 6.10063 8.68662 12.2276 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 6.4154 5.2774 4.65521 10.4716 8.70133 5.4148 10.1662 6.15714 7.4369 9.73086 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 6.4154 5.2774 4.65521 8.04817 5.64598 5.7113 9.71578 6.10063 8.68662 11.6739 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 6.4154 5.2774 4.65521 8.04817 5.64598 5.7113 10.1662 6.15714 7.4369 10.9476 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 9.03277 5.96312 7.66168 5.72266 6.79146 7.01619 11.2859 4.02212 9.98797 10.4806 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 9.03277 5.96312 7.66168 10.8983 6.89257 7.50049 11.2859 4.02212 9.98797 10.4564 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.33489 15.8885 8.94837 10.3334 7.77454 7.93571 11.9489 5.58312 9.00918 11.0651 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.33489 15.8885 8.94837 10.3334 7.77454 7.93571 16.2196 9.61537 7.99477 12.782 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 5.64806 11.0287 9.14392 6.68061 7.16254 5.71071 16.798 12.0485 8.97626 12.9034 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 5.59438 9.56234 9.52936 6.87845 9.15417 5.43299 12.5359 9.68365 8.97589 13.121 numMergedOcc 0
19 mol 184 unq 1 iso 0 dist 5.59438 9.56234 9.52936 6.87845 9.15417 5.43299 13.5706 11.6883 5.96423 11.2903 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 6.4508 4.91322 6.65984 5.41021 6.67585 4.70378 11.6785 10.9705 8.79428 13.2325 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 8.34104 14.9329 8.17891 13.2783 6.95902 5.22356 11.1592 4.09934 5.23634 6.91318 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 8.34104 13.2783 6.95902 14.9329 8.17891 5.22356 11.1592 4.09934 6.91318 5.23634 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 8.60471 15.2767 6.98084 5.47633 9.58736 16.4493 8.31344 4.47008 8.19317 11.0129 numMergedOcc 0
24 mol 235 unq 1 iso 0 dist 8.60471 15.2767 6.98084 5.47633 9.58736 16.4493 13.1315 7.34601 6.29377 15.1974 numMergedOcc 0
25 mol 235 unq 2 iso 0 dist 8.60471 15.2767 6.98084 10.2835 9.43058 14.4362 8.31344 4.47008 8.19317 12.9086 numMergedOcc 0
26 mol 235 unq 3 iso 0 dist 8.60471 15.2767 6.98084 10.2835 9.43058 14.4362 13.1315 7.34601 6.29377 16.6119 numMergedOcc 0
27 mol 235 unq 4 iso 0 dist 8.60471 15.2767 6.98084 12.4425 8.75735 11.3519 8.31344 4.47008 8.19317 11.8988 numMergedOcc 0
28 mol 235 unq 5 iso 0 dist 8.60471 15.2767 6.98084 12.4425 8.75735 11.3519 13.1315 7.34601 6.29377 14.6441 numMergedOcc 0
29 mol 235 unq 6 iso 0 dist 8.60471 15.2767 6.98084 11.9322 7.32211 7.218 8.31344 4.47008 8.19317 5.1823 numMergedOcc 0
30 mol 235 unq 7 iso 0 dist 8.60471 15.2767 6.98084 11.9322 7.32211 7.218 13.1315 7.34601 6.29377 5.70635 numMergedOcc 0
31 mol 235 unq 8 iso 0 dist 8.60471 11.9322 7.32211 5.47633 9.58736 15.4 8.31344 4.47008 5.1823 11.0129 numMergedOcc 0
32 mol 235 unq 9 iso 0 dist 8.60471 11.9322 7.32211 5.47633 9.58736 15.4 13.1315 7.34601 5.70635 15.1974 numMergedOcc 0
33 mol 235 unq 10 iso 0 dist 8.60471 11.9322 7.32211 10.2835 9.43058 14.4107 8.31344 4.47008 5.1823 12.9086 numMergedOcc 0
34 mol 235 unq 11 iso 0 dist 8.60471 11.9322 7.32211 10.2835 9.43058 14.4107 13.1315 7.34601 5.70635 16.6119 numMergedOcc 0
35 mol 235 unq 12 iso 0 dist 8.60471 11.9322 7.32211 12.4425 8.75735 11.3789 8.31344 4.47008 5.1823 11.8988 numMergedOcc 0
36 mol 235 unq 13 iso 0 dist 8.60471 11.9322 7.32211 12.4425 8.75735 11.3789 13.1315 7.34601 5.70635 14.6441 numMergedOcc 0
37 mol 235 unq 14 iso 0 dist 8.60471 11.9322 7.32211 15.2767 6.98084 7.218 8.31344 4.47008 5.1823 8.19317 numMergedOcc 0
38 mol 235 unq 15 iso 0 dist 8.60471 11.9322 7.32211 15.2767 6.98084 7.218 13.1315 7.34601 5.70635 6.29377 numMergedOcc 0
