0 mol 24 unq 0 iso 0 dist 8.14598 9.20254 7.95042 10.4452 5.11636 8.86116 12.3729 10.9819 6.44287 8.38394 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.0979 10.1001 6.66407 11.7216 5.07458 5.73819 14.2671 10.0168 5.06502 6.20293 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.0979 10.1001 6.66407 11.7216 5.07458 5.73819 10.3556 10.9975 5.89973 8.93915 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.88243 7.93761 5.38524 11.2558 5.61579 6.81627 13.2851 8.69057 5.47421 7.32874 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.88243 7.93761 5.38524 11.2558 5.61579 6.81627 17.2992 13.1897 9.7274 9.55426 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 6.88243 13.2851 8.69057 11.2558 5.61579 7.32874 7.93761 5.38524 5.47421 6.81627 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 6.88243 13.2851 8.69057 11.2558 5.61579 7.32874 17.2992 13.1897 5.90225 9.55426 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.82056 4.30874 5.5087 11.6749 11.2069 8.70481 16.3702 13.3207 14.9342 9.96396 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.82056 4.30874 5.5087 11.6749 11.2069 8.70481 15.1825 13.8368 13.3558 6.19304 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 9.09115 4.30874 6.08682 11.6749 10.6713 8.70481 16.3702 14.498 14.9342 9.96396 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 9.09115 4.30874 6.08682 11.6749 10.6713 8.70481 15.1825 14.5999 13.3558 6.19304 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 9.76849 14.7449 7.80898 15.7759 12.1193 9.36773 19.1932 12.785 5.57085 8.31336 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.23073 7.95165 8.27883 14.7115 15.6249 8.03644 10.9228 15.6447 8.41707 7.27724 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 6.84952 5.82029 7.02507 10.8197 7.03983 6.48948 12.959 9.89095 9.51923 5.08437 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 6.84952 5.82029 7.02507 10.8197 7.03983 6.48948 15.0851 12.7417 9.42358 6.10456 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 8.86846 6.06198 6.04595 12.411 5.03039 7.30858 16.7775 10.5599 10.8507 5.83991 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 8.86846 6.06198 6.04595 12.411 5.03039 7.30858 16.6569 11.8378 11.5723 7.88312 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 9.31543 4.80675 6.69691 10.1938 8.26896 8.54584 5.57362 10.5979 4.61027 8.53613 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 9.71342 6.29782 5.58833 10.514 9.00231 5.83384 8.07347 14.5521 9.05135 9.61051 numMergedOcc 0
19 mol 129 unq 2 iso 0 dist 8.57774 5.99695 5.58833 10.482 9.00231 5.83384 11.2246 14.5521 9.05135 9.61051 numMergedOcc 0
20 mol 129 unq 3 iso 0 dist 8.85652 4.80675 5.51197 10.1938 12.1739 8.54584 5.57362 9.97604 4.61027 8.53613 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 9.7105 9.71227 7.22643 7.15203 6.9945 8.22656 5.38237 10.4642 6.65743 7.24514 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 9.17216 6.62991 6.59889 11.2249 5.39112 8.56324 13.4463 6.70693 7.65448 6.70283 numMergedOcc 0
23 mol 152 unq 1 iso 0 dist 9.17216 6.62991 6.59889 11.2249 5.39112 8.56324 15.8492 10.4895 10.6875 7.16148 numMergedOcc 0
24 mol 152 unq 2 iso 0 dist 9.17216 13.4463 6.70693 13.9365 4.94983 5.87555 15.8492 10.4895 5.49936 8.87437 numMergedOcc 0
25 mol 152 unq 3 iso 0 dist 9.17216 13.4463 6.70693 11.2249 5.39112 6.70283 6.62991 6.59889 7.65448 8.56324 numMergedOcc 0
26 mol 152 unq 4 iso 0 dist 9.17216 13.4463 6.70693 11.2249 5.39112 6.70283 15.8492 10.4895 5.49936 7.16148 numMergedOcc 0
27 mol 152 unq 5 iso 0 dist 9.17216 13.4463 6.70693 17.5113 9.67475 8.67331 15.8492 10.4895 5.49936 8.05741 numMergedOcc 0
28 mol 152 unq 6 iso 0 dist 9.40483 7.17016 6.59889 13.9298 5.39112 8.56324 11.3742 6.70693 7.65448 6.70283 numMergedOcc 0
29 mol 152 unq 7 iso 0 dist 9.40483 7.17016 6.59889 13.9298 5.39112 8.56324 16.1858 10.4895 10.6875 7.16148 numMergedOcc 0
30 mol 152 unq 8 iso 0 dist 9.40483 11.3742 6.70693 13.1463 4.94983 5.87555 16.1858 10.4895 5.49936 8.87437 numMergedOcc 0
31 mol 152 unq 9 iso 0 dist 9.40483 11.3742 6.70693 13.9298 5.39112 6.70283 7.17016 6.59889 7.65448 8.56324 numMergedOcc 0
32 mol 152 unq 10 iso 0 dist 9.40483 11.3742 6.70693 13.9298 5.39112 6.70283 16.1858 10.4895 5.49936 7.16148 numMergedOcc 0
33 mol 152 unq 11 iso 0 dist 9.40483 11.3742 6.70693 18.3042 9.67475 8.67331 16.1858 10.4895 5.49936 8.05741 numMergedOcc 0
34 mol 152 unq 12 iso 0 dist 9.44172 6.62991 8.9192 11.2249 4.84714 8.56324 13.4463 9.27706 7.65448 6.70283 numMergedOcc 0
35 mol 152 unq 13 iso 0 dist 9.44172 6.62991 8.9192 11.2249 4.84714 8.56324 15.8492 11.6735 10.6875 7.16148 numMergedOcc 0
36 mol 155 unq 0 iso 0 dist 5.55218 13.8829 8.97626 14.5075 9.16779 7.46303 18.2489 12.9034 5.71071 6.23493 numMergedOcc 0
37 mol 192 unq 0 iso 0 dist 9.63224 6.34098 9.78634 11.1541 9.53265 5.59424 9.57246 12.8149 5.76246 7.00794 numMergedOcc 0
38 mol 192 unq 1 iso 0 dist 6.98794 6.34098 5.64942 11.1541 6.35474 5.59424 9.57246 6.97962 5.76246 7.00794 numMergedOcc 0
39 mol 192 unq 2 iso 0 dist 6.98794 9.57246 6.97962 11.1541 6.35474 7.00794 6.34098 5.64942 5.76246 5.59424 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 8.57781 15.4433 8.08349 13.3678 5.13732 6.61986 19.1427 11.2501 9.54151 9.40098 numMergedOcc 0
41 mol 224 unq 1 iso 0 dist 5.36326 4.55824 8.08349 7.04127 5.13732 6.61986 11.7724 11.2501 9.54151 9.40098 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 9.67162 5.52669 8.23087 6.73134 4.66414 8.04248 5.27568 11.5798 7.43758 8.35971 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 9.67281 7.01206 9.12776 13.8075 10.3162 7.31233 10.2489 8.69015 5.34096 6.22714 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 8.40328 6.18571 5.85442 13.6279 10.067 7.46176 11.0067 10.3406 6.96053 7.88519 numMergedOcc 0
45 mol 259 unq 1 iso 0 dist 8.40328 6.18571 5.85442 13.6279 10.067 7.46176 11.569 12.8546 7.64658 7.84554 numMergedOcc 0
46 mol 259 unq 2 iso 0 dist 8.40328 6.18571 5.85442 13.6279 10.067 7.46176 14.3101 16.0301 10.5239 9.18903 numMergedOcc 0
47 mol 259 unq 3 iso 0 dist 8.2518 11.0067 9.46361 16.342 12.2293 8.13497 21.044 18.7675 10.582 8.53687 numMergedOcc 0
48 mol 259 unq 4 iso 0 dist 8.2518 11.0067 9.46361 13.6279 11.6988 7.88519 11.569 12.8903 4.86771 7.84554 numMergedOcc 0
49 mol 259 unq 5 iso 0 dist 8.2518 11.0067 9.46361 13.6279 11.6988 7.88519 6.18571 6.95511 6.96053 7.46176 numMergedOcc 0
50 mol 259 unq 6 iso 0 dist 8.2518 11.0067 9.46361 13.6279 11.6988 7.88519 14.3101 17.104 10.4881 9.18903 numMergedOcc 0
51 mol 259 unq 7 iso 0 dist 8.2518 6.18571 6.95511 13.6279 11.6988 7.46176 11.0067 9.46361 6.96053 7.88519 numMergedOcc 0
52 mol 259 unq 8 iso 0 dist 8.2518 6.18571 6.95511 13.6279 11.6988 7.46176 11.569 12.8903 7.64658 7.84554 numMergedOcc 0
53 mol 259 unq 9 iso 0 dist 8.2518 6.18571 6.95511 13.6279 11.6988 7.46176 14.3101 17.104 10.5239 9.18903 numMergedOcc 0
54 mol 280 unq 0 iso 0 dist 7.4869 6.07005 6.02353 10.6192 4.90315 6.53701 7.38048 6.86234 5.51836 6.0664 numMergedOcc 0
55 mol 280 unq 1 iso 0 dist 7.4869 7.38048 6.86234 10.6192 4.90315 6.0664 6.07005 6.02353 5.51836 6.53701 numMergedOcc 0
