0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 20.1827 10.515 9.36807 19.4516 10.5461 13.2247 6.36911 20.3971 12.2041 12.2333 6.06176 8.41585 16.2118 7.12508 6.1206 7.92429 9.87885 12.8323 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 10.6104 8.41585 10.9688 6.06176 6.36911 15.637 12.2333 13.2247 9.36807 13.5184 12.2041 10.5461 10.515 7.10621 16.4746 12.8323 9.87885 7.92429 6.1206 7.12508 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.51421 10.6104 8.41585 10.9688 6.06176 6.36911 15.637 12.2333 13.2247 9.36807 13.5184 12.2041 10.5461 10.515 7.10621 20.7518 16.5681 14.1836 11.2233 7.67927 11.143 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 9.05346 6.2983 7.03948 5.48395 6.31718 6.92781 5.47769 12.9591 10.8455 12.5273 5.94084 7.63133 9.8871 4.65873 6.57331 4.68733 8.43054 9.81307 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.19021 4.18584 6.43774 9.61766 4.71384 7.06308 9.0702 7.2846 5.24762 6.34173 14.4598 8.81358 11.2563 5.67689 7.58835 13.4674 6.42339 11.5679 6.00679 9.33906 5.1274 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 15.8125 11.3902 8.66155 11.4509 13.8473 7.69052 9.66954 14.0784 10.8507 5.83991 6.09023 9.33865 16.2777 15.3161 9.42082 6.49835 6.39384 6.63111 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 9.35868 8.25001 7.30858 15.8125 11.3902 8.66155 11.4509 13.8473 7.69052 9.66954 13.3494 11.5723 7.88312 4.61908 6.11741 16.2777 15.3161 9.42082 6.49835 6.39384 6.07067 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 4.98864 6.59772 6.11741 9.44544 4.61908 9.66954 10.9437 7.88312 7.69052 8.66155 14.1021 11.5723 13.8473 11.3902 7.30858 16.4805 11.835 13.4105 9.13361 7.69765 10.3209 numMergedOcc 0
8 mol 115 unq 3 iso 0 dist 4.98864 6.59772 6.11741 9.44544 4.61908 9.66954 10.9437 7.88312 7.69052 8.66155 14.1021 11.5723 13.8473 11.3902 7.30858 9.47795 6.07067 6.39384 6.49835 9.42082 15.3161 numMergedOcc 0
9 mol 115 unq 4 iso 0 dist 4.98864 6.59772 6.11741 9.44544 4.61908 9.66954 10.9437 7.88312 7.69052 8.66155 12.6493 8.02349 9.33865 6.09023 5.83991 16.4805 11.835 13.4105 9.13361 7.69765 4.48636 numMergedOcc 0
10 mol 115 unq 5 iso 0 dist 4.98864 6.59772 6.11741 9.44544 4.61908 9.66954 10.9437 7.88312 7.69052 8.66155 12.6493 8.02349 9.33865 6.09023 5.83991 9.47795 6.07067 6.39384 6.49835 9.42082 6.63111 numMergedOcc 0
11 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 9.44544 4.61908 8.66155 6.59772 6.11741 7.69052 9.66954 12.6493 8.02349 5.83991 6.09023 9.33865 9.47795 6.07067 9.42082 6.49835 6.39384 6.63111 numMergedOcc 0
12 mol 115 unq 7 iso 0 dist 7.95871 4.86477 6.11741 12.2966 4.61908 9.66954 12.0354 7.88312 7.69052 8.66155 17.0624 11.5723 13.8473 11.3902 7.30858 17.9091 11.835 13.4105 9.13361 7.69765 10.3209 numMergedOcc 0
13 mol 115 unq 8 iso 0 dist 7.95871 4.86477 6.11741 12.2966 4.61908 9.66954 12.0354 7.88312 7.69052 8.66155 17.0624 11.5723 13.8473 11.3902 7.30858 9.29473 6.07067 6.39384 6.49835 9.42082 15.3161 numMergedOcc 0
14 mol 115 unq 9 iso 0 dist 7.95871 4.86477 6.11741 12.2966 4.61908 9.66954 12.0354 7.88312 7.69052 8.66155 13.7044 8.02349 9.33865 6.09023 5.83991 17.9091 11.835 13.4105 9.13361 7.69765 4.48636 numMergedOcc 0
15 mol 115 unq 10 iso 0 dist 7.95871 4.86477 6.11741 12.2966 4.61908 9.66954 12.0354 7.88312 7.69052 8.66155 13.7044 8.02349 9.33865 6.09023 5.83991 9.29473 6.07067 6.39384 6.49835 9.42082 6.63111 numMergedOcc 0
16 mol 115 unq 11 iso 0 dist 7.95871 12.0354 7.88312 12.2966 4.61908 8.66155 4.86477 6.11741 7.69052 9.66954 13.7044 8.02349 5.83991 6.09023 9.33865 9.29473 6.07067 9.42082 6.49835 6.39384 6.63111 numMergedOcc 0
17 mol 117 unq 0 iso 0 dist 6.90827 5.27151 7.83136 9.58171 4.91401 7.63616 10.4485 7.90328 7.22206 6.62561 18.7881 13.1058 16.5575 11.3679 9.84395 15.0886 10.5783 11.6387 6.95589 6.10127 6.57678 numMergedOcc 0
18 mol 117 unq 1 iso 0 dist 8.90977 10.6616 7.83136 13.2996 4.91401 7.63616 13.8755 7.90328 7.22206 6.62561 20.7361 13.1058 16.5575 11.3679 9.84395 18.6425 10.5783 11.6387 6.95589 6.10127 6.57678 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 11.3096 5.29877 6.67585 5.72088 6.57273 4.70378 6.65984 8.46129 5.0744 9.99123 6.12232 6.60589 6.32334 7.05804 13.2325 10.9705 8.79428 5.76843 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 16.431 9.13836 8.17891 14.0536 10.8157 5.22356 6.95902 11.3366 4.39704 7.22101 6.43754 8.65997 13.0848 5.83175 5.23634 4.09934 6.91318 5.0317 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 10.3034 11.3552 7.17676 11.247 7.68742 7.28249 5.34718 11.3361 5.79505 8.03456 11.8759 9.81562 13.747 4.89609 10.1317 13.0765 9.3206 4.27181 numMergedOcc 0
22 mol 236 unq 1 iso 0 dist 9.89665 4.38595 6.84306 10.3034 11.3552 7.17676 11.247 7.68742 7.28249 5.34718 14.0991 11.3368 9.99038 6.04825 6.27581 13.747 4.89609 10.1317 13.0765 9.3206 10.5774 numMergedOcc 0
23 mol 236 unq 2 iso 0 dist 9.05929 4.38595 8.35971 10.3034 6.40312 7.17676 11.247 11.2141 7.28249 5.34718 11.3361 14.2337 8.03456 11.8759 9.81562 13.747 16.9105 10.1317 13.0765 9.3206 4.27181 numMergedOcc 0
24 mol 236 unq 3 iso 0 dist 9.05929 4.38595 8.35971 10.3034 6.40312 7.17676 11.247 11.2141 7.28249 5.34718 9.89665 14.7998 6.84306 11.3552 7.68742 13.747 16.9105 10.1317 13.0765 9.3206 4.89609 numMergedOcc 0
25 mol 236 unq 4 iso 0 dist 9.05929 4.38595 8.35971 10.3034 6.40312 7.17676 11.247 11.2141 7.28249 5.34718 14.0991 10.7497 9.99038 6.04825 6.27581 13.747 16.9105 10.1317 13.0765 9.3206 10.5774 numMergedOcc 0
26 mol 236 unq 5 iso 0 dist 5.66569 11.2013 9.99038 6.98151 6.04825 7.17676 4.15973 6.27581 7.28249 5.34718 12.3675 9.90963 8.03456 11.8759 9.81562 11.2893 10.5774 10.1317 13.0765 9.3206 4.27181 numMergedOcc 0
27 mol 236 unq 6 iso 0 dist 5.66569 11.2013 9.99038 6.98151 6.04825 7.17676 4.15973 6.27581 7.28249 5.34718 11.0771 11.3368 6.84306 11.3552 7.68742 11.2893 10.5774 10.1317 13.0765 9.3206 4.89609 numMergedOcc 0
28 mol 236 unq 7 iso 0 dist 6.11137 15.1664 9.99038 9.91572 6.04825 7.17676 9.01197 6.27581 7.28249 5.34718 14.8917 9.90963 8.03456 11.8759 9.81562 14.0625 10.5774 10.1317 13.0765 9.3206 4.27181 numMergedOcc 0
29 mol 236 unq 8 iso 0 dist 6.11137 15.1664 9.99038 9.91572 6.04825 7.17676 9.01197 6.27581 7.28249 5.34718 15.2525 11.3368 6.84306 11.3552 7.68742 14.0625 10.5774 10.1317 13.0765 9.3206 4.89609 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 6.24928 5.33567 6.57393 8.81534 6.20606 5.38637 9.85437 11.101 5.42006 6.55759 11.3074 14.0328 10.0756 10.4664 7.31233 17.4614 20.1157 13.9551 15.4844 9.12776 10.3162 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 15.0854 12.0576 12.5353 7.48005 15.673 15.8535 15.9169 11.6195 7.88519 13.9782 14.6375 17.0253 9.98303 9.63573 7.20604 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 15.0854 12.0576 12.5353 7.48005 15.673 15.8535 15.9169 11.6195 7.88519 21.3106 19.2084 20.1127 14.0829 7.66153 8.8603 numMergedOcc 0
33 mol 259 unq 2 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 15.0854 12.0576 12.5353 7.48005 17.3619 16.9228 18.2309 11.8736 7.84554 13.9782 14.6375 17.0253 9.98303 9.63573 5.05362 numMergedOcc 0
34 mol 259 unq 3 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 15.0854 12.0576 12.5353 7.48005 17.3619 16.9228 18.2309 11.8736 7.84554 21.3106 19.2084 20.1127 14.0829 7.66153 5.8801 numMergedOcc 0
35 mol 259 unq 4 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 15.0854 12.0576 12.5353 7.48005 9.73341 9.98105 11.858 5.79468 7.46176 13.9782 14.6375 17.0253 9.98303 9.63573 5.21606 numMergedOcc 0
36 mol 259 unq 5 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 15.0854 12.0576 12.5353 7.48005 9.73341 9.98105 11.858 5.79468 7.46176 21.3106 19.2084 20.1127 14.0829 7.66153 11.8896 numMergedOcc 0
37 mol 259 unq 6 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 15.0854 12.0576 12.5353 7.48005 19.5809 17.9439 20.3294 12.6649 9.18903 13.9782 14.6375 17.0253 9.98303 9.63573 7.46841 numMergedOcc 0
38 mol 259 unq 7 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 15.0854 12.0576 12.5353 7.48005 19.5809 17.9439 20.3294 12.6649 9.18903 21.3106 19.2084 20.1127 14.0829 7.66153 5.81576 numMergedOcc 0
