0 mol 0 unq 0 iso 0 dist 6.8892 5.55156 5.85361 7.1599 11.788 7.15528 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.02869 5.83658 5.37308 10.826 12.421 9.60499 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.38748 6.22892 5.0893 7.15287 6.8464 8.41585 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 9.42387 6.30573 5.55214 4.81121 13.681 9.7022 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 9.42387 6.30573 5.55214 7.95811 14.8819 9.58196 numMergedOcc 0
5 mol 14 unq 2 iso 0 dist 9.42387 6.30573 5.55214 6.24146 13.9071 9.04767 numMergedOcc 0
6 mol 14 unq 3 iso 0 dist 7.59564 6.30573 4.75873 4.81121 10.9341 9.7022 numMergedOcc 0
7 mol 14 unq 4 iso 0 dist 7.59564 6.30573 4.75873 7.95811 9.95397 9.58196 numMergedOcc 0
8 mol 14 unq 5 iso 0 dist 7.59564 6.30573 4.75873 6.24146 7.73217 9.04767 numMergedOcc 0
9 mol 14 unq 6 iso 0 dist 8.10957 6.30573 6.03847 4.81121 8.82819 9.7022 numMergedOcc 0
10 mol 14 unq 7 iso 0 dist 8.10957 6.30573 6.03847 7.95811 5.36937 9.58196 numMergedOcc 0
11 mol 14 unq 8 iso 0 dist 8.10957 6.30573 6.03847 6.24146 5.99703 9.04767 numMergedOcc 0
12 mol 19 unq 0 iso 0 dist 8.75001 7.84393 12.48 9.01721 17.1733 7.82074 numMergedOcc 0
13 mol 24 unq 0 iso 0 dist 7.69637 6.85331 9.1927 9.20254 12.0295 6.86014 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 9.22152 5.87895 6.7228 5.75653 13.3202 7.36323 numMergedOcc 0
15 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 9.73304 16.8033 9.67592 numMergedOcc 0
16 mol 64 unq 1 iso 0 dist 5.66803 5.54343 5.9853 5.59762 9.21546 9.67592 numMergedOcc 0
17 mol 71 unq 0 iso 0 dist 8.92529 8.21553 6.10737 5.87956 10.2053 7.38797 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 12.8388 11.6724 9.96396 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 8.90896 5.79954 4.78435 9.65653 14.5091 9.75218 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 8.90896 5.79954 4.78435 14.1415 10.2786 9.38498 numMergedOcc 0
21 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 10.2219 14.6364 6.97941 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 9.42014 5.81552 6.29923 10.626 12.9747 9.60462 numMergedOcc 0
23 mol 112 unq 1 iso 0 dist 9.42014 5.81552 6.29923 5.27363 12.5126 7.45389 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 8.80824 6.09472 6.80053 5.74878 9.70616 4.99221 numMergedOcc 0
25 mol 115 unq 1 iso 0 dist 9.67606 6.09472 4.45342 5.74878 9.28214 4.99221 numMergedOcc 0
26 mol 115 unq 2 iso 0 dist 9.41083 6.20658 4.45342 7.09627 9.28214 4.99221 numMergedOcc 0
27 mol 115 unq 3 iso 0 dist 9.41083 7.83568 11.8582 7.10772 14.3348 5.11551 numMergedOcc 0
28 mol 115 unq 4 iso 0 dist 9.41083 7.83568 11.8582 11.3906 18.1828 7.11972 numMergedOcc 0
29 mol 127 unq 0 iso 0 dist 5.83719 6.65963 4.98711 10.345 11.2815 8.14887 numMergedOcc 0
30 mol 127 unq 1 iso 0 dist 5.83719 8.62711 11.2447 10.345 11.2815 9.30299 numMergedOcc 0
31 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 10.0823 11.9102 7.7059 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 8.8353 9.89098 16.1558 8.96845 17.7988 9.91388 numMergedOcc 0
33 mol 143 unq 0 iso 0 dist 6.87456 5.30872 8.03483 6.3915 12.5106 5.99315 numMergedOcc 0
34 mol 143 unq 1 iso 0 dist 5.40826 7.5984 9.02772 5.11989 9.35213 5.99315 numMergedOcc 0
35 mol 175 unq 0 iso 0 dist 7.03107 6.6776 4.51101 13.7028 13.3338 9.0018 numMergedOcc 0
36 mol 175 unq 1 iso 0 dist 7.03107 6.6776 4.51101 10.4662 8.84385 5.6234 numMergedOcc 0
37 mol 175 unq 2 iso 0 dist 7.03107 6.6776 4.51101 7.42609 9.81041 6.57069 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 8.92801 9.63295 9.40823 12.5935 12.8027 7.63312 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 9.40718 9.63295 5.32364 12.5935 11.9989 7.63312 numMergedOcc 0
40 mol 182 unq 0 iso 0 dist 8.27913 9.36307 8.27268 9.72559 10.8493 9.31746 numMergedOcc 0
41 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 16.5528 23.0178 9.65138 numMergedOcc 0
42 mol 214 unq 1 iso 0 dist 7.82201 9.40003 17.1162 9.11345 15.2631 7.14453 numMergedOcc 0
43 mol 214 unq 2 iso 0 dist 7.82201 9.40003 17.1162 16.922 23.8076 8.85478 numMergedOcc 0
44 mol 214 unq 3 iso 0 dist 5.86911 9.4835 13.1789 14.5108 19.5839 8.82096 numMergedOcc 0
45 mol 214 unq 4 iso 0 dist 7.89258 9.4835 10.1543 14.5108 17.6894 8.82096 numMergedOcc 0
46 mol 220 unq 0 iso 0 dist 9.89039 8.9077 13.6952 10.6943 15.6403 9.23153 numMergedOcc 0
47 mol 220 unq 1 iso 0 dist 9.89039 8.9077 13.6952 15.396 21.5268 8.24498 numMergedOcc 0
48 mol 220 unq 2 iso 0 dist 8.57174 8.9077 13.8822 10.6943 18.2814 9.23153 numMergedOcc 0
49 mol 220 unq 3 iso 0 dist 8.57174 8.9077 13.8822 15.396 19.4468 8.24498 numMergedOcc 0
50 mol 223 unq 0 iso 0 dist 6.97426 9.94212 15.9255 11.4946 18.1661 8.77153 numMergedOcc 0
51 mol 223 unq 1 iso 0 dist 6.97426 9.94212 15.9255 13.1422 19.8848 8.6166 numMergedOcc 0
52 mol 223 unq 2 iso 0 dist 8.87456 9.94212 17.7343 11.4946 20.1459 8.77153 numMergedOcc 0
53 mol 223 unq 3 iso 0 dist 8.87456 9.94212 17.7343 13.1422 20.15 8.6166 numMergedOcc 0
54 mol 229 unq 0 iso 0 dist 7.48693 8.0007 8.75723 5.29674 12.494 9.87838 numMergedOcc 0
55 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 7.37154 12.8799 6.7547 numMergedOcc 0
56 mol 236 unq 0 iso 0 dist 4.71683 6.73134 7.41812 5.52669 9.44496 8.04248 numMergedOcc 0
57 mol 236 unq 1 iso 0 dist 4.71683 6.73134 7.41812 5.27568 9.13551 8.35971 numMergedOcc 0
58 mol 236 unq 2 iso 0 dist 8.63249 9.97357 13.6195 8.3919 11.8908 8.03456 numMergedOcc 0
59 mol 236 unq 3 iso 0 dist 8.63249 9.97357 13.6195 4.88785 12.0498 6.84306 numMergedOcc 0
60 mol 236 unq 4 iso 0 dist 8.63249 9.97357 13.6195 10.2557 5.90804 9.99038 numMergedOcc 0
61 mol 236 unq 5 iso 0 dist 8.63249 9.97357 13.6195 14.6755 15.4854 9.78037 numMergedOcc 0
62 mol 236 unq 6 iso 0 dist 8.63249 9.97357 13.6195 16.5918 16.1665 8.35971 numMergedOcc 0
63 mol 236 unq 7 iso 0 dist 8.63249 6.36941 7.45579 8.3919 11.8908 9.81562 numMergedOcc 0
64 mol 236 unq 8 iso 0 dist 8.63249 6.36941 7.45579 4.88785 12.0498 7.68742 numMergedOcc 0
65 mol 236 unq 9 iso 0 dist 8.63249 6.36941 7.45579 10.2557 5.90804 6.27581 numMergedOcc 0
66 mol 239 unq 0 iso 0 dist 8.48545 9.27989 13.3838 12.1502 17.0305 6.16342 numMergedOcc 0
67 mol 241 unq 0 iso 0 dist 7.26758 6.40592 7.3737 7.93809 12.8359 7.4631 numMergedOcc 0
68 mol 258 unq 0 iso 0 dist 8.10903 8.81059 5.90131 9.78068 9.04358 6.42289 numMergedOcc 0
69 mol 258 unq 1 iso 0 dist 8.70193 7.9357 4.51422 8.73372 10.0455 6.42289 numMergedOcc 0
70 mol 258 unq 2 iso 0 dist 7.25618 8.81059 4.51422 9.78068 10.0455 6.42289 numMergedOcc 0
71 mol 261 unq 0 iso 0 dist 8.88741 7.15785 6.43209 6.5875 7.30472 8.02547 numMergedOcc 0
72 mol 261 unq 1 iso 0 dist 8.88741 9.43169 7.78464 6.5875 7.30472 6.05727 numMergedOcc 0
73 mol 261 unq 2 iso 0 dist 7.58385 8.50313 6.88989 13.3163 13.5435 8.45658 numMergedOcc 0
74 mol 261 unq 3 iso 0 dist 6.0437 8.50313 4.25662 13.3163 12.1908 8.45658 numMergedOcc 0
75 mol 261 unq 4 iso 0 dist 4.85199 7.6414 4.25662 13.6041 12.1908 8.45658 numMergedOcc 0
76 mol 261 unq 5 iso 0 dist 9.72159 7.6414 12.864 13.6041 20.1172 8.45658 numMergedOcc 0
77 mol 277 unq 0 iso 0 dist 8.15119 8.35794 7.94155 5.77904 4.81916 9.7748 numMergedOcc 0
78 mol 280 unq 0 iso 0 dist 9.76967 9.26066 18.1328 12.5899 21.2961 6.53701 numMergedOcc 0
