0 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 12.1754 7.63133 10.8455 10.406 5.48395 6.36377 12.9591 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.36377 5.48395 6.31718 4.78943 5.05803 6.92781 10.406 4.2139 9.76968 8.8641 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.40051 14.4191 7.17969 13.466 7.57578 4.33106 13.0464 5.59268 8.88413 10.5993 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.65344 5.29688 6.85766 13.1729 7.71095 10.0246 4.67917 5.34079 8.05508 12.5028 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 6.75472 5.83991 10.8507 10.8042 8.25001 9.35868 14.0784 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.02717 5.28901 7.30858 11.0268 7.88312 11.5723 10.8042 8.25001 9.35868 13.3494 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 5.28901 7.30858 11.5723 14.7907 10.9437 4.98864 14.1021 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 5.02717 11.0268 7.88312 5.28901 7.30858 11.5723 16.7534 12.0354 7.95871 17.0624 numMergedOcc 0
8 mol 115 unq 4 iso 0 dist 5.02717 11.0268 7.88312 6.75472 5.83991 8.02349 14.7907 10.9437 4.98864 12.6493 numMergedOcc 0
9 mol 115 unq 5 iso 0 dist 5.02717 11.0268 7.88312 6.75472 5.83991 8.02349 16.7534 12.0354 7.95871 13.7044 numMergedOcc 0
10 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 14.7907 11.0268 5.02717 12.5189 numMergedOcc 0
11 mol 115 unq 7 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 16.7534 11.0268 5.02717 12.5189 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 5.6098 8.40312 10.7062 12.2899 11.4498 7.81337 15.7871 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 4.29914 7.12972 6.63273 12.2899 11.4498 7.81337 10.4432 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.82404 5.37072 8.00618 10.2385 6.29155 11.965 7.12336 9.73435 5.86531 15.5083 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 5.82404 5.37072 8.00618 4.64588 6.80239 7.79672 7.12336 9.73435 5.86531 11.5178 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 5.86531 6.26797 7.11802 9.73435 8.00618 8.18495 7.12336 5.37072 9.50322 5.82404 numMergedOcc 0
17 mol 133 unq 3 iso 0 dist 5.86531 9.73435 8.00618 6.26797 7.11802 8.18495 7.12336 5.37072 5.82404 9.50322 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 9.55777 16.4881 7.21333 6.54251 8.01589 13.3522 10.9808 4.82768 7.85877 10.8522 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 9.55777 16.4881 7.21333 15.3892 7.7699 5.24516 10.9808 4.82768 7.85877 10.0664 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 11.1162 3.82437 8.90987 11.2664 numMergedOcc 0
21 mol 236 unq 1 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 11.1162 16.8883 8.90987 15.2598 numMergedOcc 0
22 mol 236 unq 2 iso 0 dist 8.90987 3.82437 6.84306 5.26654 8.03456 5.79505 11.1162 4.38595 9.89665 11.3361 numMergedOcc 0
23 mol 236 unq 3 iso 0 dist 8.90987 3.82437 6.84306 13.8124 9.99038 11.3368 11.1162 4.38595 9.89665 14.0991 numMergedOcc 0
24 mol 236 unq 4 iso 0 dist 8.90987 3.82437 6.84306 11.2846 9.78037 11.8739 11.1162 4.38595 9.89665 11.8422 numMergedOcc 0
25 mol 236 unq 5 iso 0 dist 8.90987 3.82437 6.84306 16.8883 8.35971 14.7998 11.1162 4.38595 9.89665 9.05929 numMergedOcc 0
26 mol 236 unq 6 iso 0 dist 8.90987 13.8124 9.99038 5.26654 8.03456 9.90963 14.4736 11.2013 5.66569 12.3675 numMergedOcc 0
27 mol 236 unq 7 iso 0 dist 8.90987 13.8124 9.99038 5.26654 8.03456 9.90963 18.1269 15.1664 6.11137 14.8917 numMergedOcc 0
28 mol 236 unq 8 iso 0 dist 8.90987 13.8124 9.99038 3.82437 6.84306 11.3368 14.4736 11.2013 5.66569 11.0771 numMergedOcc 0
29 mol 236 unq 9 iso 0 dist 8.90987 13.8124 9.99038 3.82437 6.84306 11.3368 18.1269 15.1664 6.11137 15.2525 numMergedOcc 0
30 mol 236 unq 10 iso 0 dist 8.90987 13.8124 9.99038 11.2846 9.78037 11.1557 14.4736 11.2013 5.66569 15.7385 numMergedOcc 0
31 mol 236 unq 11 iso 0 dist 8.90987 13.8124 9.99038 11.2846 9.78037 11.1557 18.1269 15.1664 6.11137 17.0539 numMergedOcc 0
32 mol 236 unq 12 iso 0 dist 8.90987 13.8124 9.99038 16.8883 8.35971 10.7497 14.4736 11.2013 5.66569 13.3367 numMergedOcc 0
33 mol 236 unq 13 iso 0 dist 8.90987 13.8124 9.99038 16.8883 8.35971 10.7497 18.1269 15.1664 6.11137 15.4718 numMergedOcc 0
34 mol 236 unq 14 iso 0 dist 8.90987 16.8883 8.35971 5.26654 8.03456 14.2337 11.1162 4.38595 9.05929 11.3361 numMergedOcc 0
35 mol 236 unq 15 iso 0 dist 8.90987 16.8883 8.35971 3.82437 6.84306 14.7998 11.1162 4.38595 9.05929 9.89665 numMergedOcc 0
36 mol 236 unq 16 iso 0 dist 8.90987 16.8883 8.35971 13.8124 9.99038 10.7497 11.1162 4.38595 9.05929 14.0991 numMergedOcc 0
37 mol 236 unq 17 iso 0 dist 8.90987 16.8883 8.35971 11.2846 9.78037 12.0369 11.1162 4.38595 9.05929 11.8422 numMergedOcc 0
38 mol 236 unq 18 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 14.4736 13.8124 8.90987 11.2664 numMergedOcc 0
39 mol 236 unq 19 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 18.1269 13.8124 8.90987 11.2664 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 4.62072 8.53687 10.582 9.05363 6.64729 8.06771 12.3391 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 8.06771 6.64729 8.13497 9.79538 7.88519 4.69778 9.05363 10.4985 5.90645 9.73107 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 8.43858 8.55312 6.24356 10.2215 9.361 10.3202 11.229 3.93713 8.19504 13.1873 numMergedOcc 0
