0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 20.1368 10.789 7.31201 16.2118 7.12508 6.1206 4.40641 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 14.6665 7.10621 20.1368 10.789 7.31201 18.9985 11.143 7.67927 5.03278 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.8603 14.6665 7.10621 20.1827 10.515 9.36807 16.2118 7.12508 6.1206 7.92429 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.8603 14.6665 7.10621 20.1827 10.515 9.36807 18.9985 11.143 7.67927 11.2233 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 5.51421 10.6104 8.41585 10.9688 6.06176 6.36911 16.4746 12.8323 9.87885 7.92429 numMergedOcc 0
5 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 9.05346 6.2983 7.03948 9.30877 5.01101 6.42835 9.87867 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 6.36377 4.78943 5.05803 9.05346 6.2983 7.03948 9.8871 4.65873 6.57331 4.68733 numMergedOcc 0
7 mol 16 unq 2 iso 0 dist 6.36377 5.48395 6.31718 9.05346 6.2983 5.47769 9.8871 4.65873 8.43054 4.68733 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 9.87281 6.17631 7.31767 13.4756 8.43188 7.685 12.3312 6.10919 7.6114 7.1845 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 7.63928 6.17631 6.03987 13.4756 10.3635 7.685 12.3312 5.86705 7.6114 7.1845 numMergedOcc 0
10 mol 45 unq 0 iso 0 dist 7.19021 9.0702 7.2846 9.61766 4.71384 6.34173 13.4674 6.42339 9.33906 6.00679 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 15.8125 11.3902 8.66155 15.2429 10.3209 7.69765 9.13361 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 9.35868 8.25001 7.30858 15.8125 11.3902 8.66155 16.2777 15.3161 9.42082 6.49835 numMergedOcc 0
13 mol 115 unq 2 iso 0 dist 5.02717 6.75472 5.83991 13.1716 10.9739 7.76729 9.5681 6.01673 6.24825 5.78043 numMergedOcc 0
14 mol 115 unq 3 iso 0 dist 4.98864 6.59772 6.11741 9.44544 4.61908 9.66954 9.47795 6.07067 6.39384 6.49835 numMergedOcc 0
15 mol 115 unq 4 iso 0 dist 4.98864 6.59772 6.11741 12.7883 10.8939 7.64585 9.47795 6.07067 6.39384 5.65471 numMergedOcc 0
16 mol 115 unq 5 iso 0 dist 4.98864 10.9437 7.88312 9.44544 4.61908 8.66155 16.4805 11.835 7.69765 9.13361 numMergedOcc 0
17 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 9.44544 4.61908 8.66155 9.47795 6.07067 9.42082 6.49835 numMergedOcc 0
18 mol 115 unq 7 iso 0 dist 7.95871 4.86477 6.11741 12.2966 4.61908 9.66954 9.29473 6.07067 6.39384 6.49835 numMergedOcc 0
19 mol 115 unq 8 iso 0 dist 7.95871 4.86477 6.11741 10.1292 10.8939 7.64585 9.29473 6.07067 6.39384 5.65471 numMergedOcc 0
20 mol 115 unq 9 iso 0 dist 7.95871 12.0354 7.88312 12.2966 4.61908 8.66155 17.9091 11.835 7.69765 9.13361 numMergedOcc 0
21 mol 115 unq 10 iso 0 dist 7.95871 12.0354 7.88312 12.2966 4.61908 8.66155 9.29473 6.07067 9.42082 6.49835 numMergedOcc 0
22 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 9.58171 4.91401 6.62561 15.0886 10.5783 6.10127 6.95589 numMergedOcc 0
23 mol 117 unq 1 iso 0 dist 6.90827 5.27151 7.83136 9.58171 4.91401 7.63616 6.78655 3.55765 8.19331 5.56883 numMergedOcc 0
24 mol 117 unq 2 iso 0 dist 8.90977 13.8755 7.90328 13.2996 4.91401 6.62561 18.6425 10.5783 6.10127 6.95589 numMergedOcc 0
25 mol 117 unq 3 iso 0 dist 8.90977 10.6616 7.83136 13.2996 4.91401 7.63616 9.42037 3.55765 8.19331 5.56883 numMergedOcc 0
26 mol 132 unq 0 iso 0 dist 8.7366 4.90475 7.7059 10.9124 9.92344 6.03703 10.6383 12.9631 6.89918 6.545 numMergedOcc 0
27 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 9.19849 6.58937 8.62646 10.7297 7.87971 7.20495 4.15547 numMergedOcc 0
28 mol 167 unq 1 iso 0 dist 5.59806 8.66436 9.87651 9.19849 6.58937 8.62646 11.298 12.0033 9.2289 7.0046 numMergedOcc 0
29 mol 167 unq 2 iso 0 dist 5.59806 8.66436 9.87651 9.19849 6.58937 8.62646 11.5835 11.6011 7.02548 6.24722 numMergedOcc 0
30 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 14.1636 5.71262 8.36822 17.2469 9.53265 9.78634 10.3099 numMergedOcc 0
31 mol 192 unq 1 iso 0 dist 9.90531 8.43102 5.59424 14.1636 5.71262 8.36822 11.6646 6.35474 5.64942 10.1087 numMergedOcc 0
32 mol 192 unq 2 iso 0 dist 9.90531 8.43102 5.59424 14.1636 5.71262 8.36822 11.4183 5.25965 7.43054 10.0566 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 8.39002 5.72088 6.57273 11.3096 5.29877 6.65984 6.32334 7.05804 8.79428 10.9705 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 8.46129 5.72088 6.60589 11.3096 6.12232 6.65984 6.32334 5.76843 8.79428 10.9705 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 16.431 9.13836 8.17891 13.0848 5.83175 5.23634 4.09934 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 9.89665 11.247 7.68742 10.3034 11.3552 5.34718 13.747 4.89609 9.3206 13.0765 numMergedOcc 0
37 mol 236 unq 1 iso 0 dist 5.66569 4.15973 6.27581 6.98151 6.04825 5.34718 11.2893 10.5774 9.3206 13.0765 numMergedOcc 0
38 mol 236 unq 2 iso 0 dist 6.11137 9.01197 6.27581 9.91572 6.04825 5.34718 14.0625 10.5774 9.3206 13.0765 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 12.9182 13.069 9.29858 7.13727 7.06793 9.72188 11.7938 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 8.59074 9.18011 5.72887 9.77231 13.069 9.29858 8.56975 7.06793 9.72188 11.7938 numMergedOcc 0
41 mol 238 unq 2 iso 0 dist 6.2365 4.7157 5.72887 10.2583 13.069 9.29858 10.5721 7.06793 9.72188 11.7938 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 13.1236 11.6195 7.48005 14.2921 7.20604 9.63573 9.98303 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 13.1236 11.6195 7.48005 13.9131 8.8603 7.66153 14.0829 numMergedOcc 0
44 mol 259 unq 2 iso 0 dist 9.54857 15.3806 7.46176 10.5864 5.79468 7.48005 13.6312 5.21606 9.63573 9.98303 numMergedOcc 0
45 mol 259 unq 3 iso 0 dist 9.54857 15.3806 7.46176 10.5864 5.79468 7.48005 21.0823 11.8896 7.66153 14.0829 numMergedOcc 0
46 mol 259 unq 4 iso 0 dist 9.12507 5.59901 5.30224 10.5745 4.99891 6.77938 10.7775 4.04513 8.03219 8.90322 numMergedOcc 0
47 mol 259 unq 5 iso 0 dist 9.12507 5.59901 5.30224 10.5745 4.99891 6.77938 4.95855 7.09907 6.9899 9.2872 numMergedOcc 0
48 mol 259 unq 6 iso 0 dist 9.12507 5.59901 5.30224 8.46351 5.32839 7.76676 10.7775 4.04513 8.03219 7.27192 numMergedOcc 0
49 mol 259 unq 7 iso 0 dist 9.12507 5.59901 5.30224 8.46351 5.32839 7.76676 4.95855 7.09907 6.9899 4.61451 numMergedOcc 0
