0 mol 11 unq 0 iso 0 dist 6.09937 4.73237 8.68293 10.6838 13.5125 5.96346 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.07476 5.8961 6.84216 9.52695 6.76736 5.96346 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 9.04534 5.71129 6.58046 9.84802 8.84131 4.30695 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 9.04534 5.71129 6.58046 9.78754 6.51674 6.35398 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 5.70754 5.69927 8.4014 5.19544 5.69755 5.89412 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.6586 13.2653 8.23075 13.5984 12.2271 8.70827 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.6586 13.2653 8.23075 18.4559 12.2839 6.73939 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 9.86038 5.8457 8.04242 12.8003 13.5973 7.54568 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.04673 4.73713 5.42067 5.93987 4.30488 8.18107 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 5.04673 4.73713 5.42067 7.7913 5.09449 5.9465 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 5.04673 4.36394 7.36435 5.93987 4.30488 9.8859 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 5.04673 4.36394 7.36435 7.7913 5.09449 6.97962 numMergedOcc 0
12 mol 92 unq 4 iso 0 dist 8.23055 4.56886 4.17838 9.7872 3.77771 5.37007 numMergedOcc 0
13 mol 92 unq 5 iso 0 dist 8.30746 5.1219 4.17838 10.2815 3.77771 5.37007 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 6.3323 11.1132 7.44558 14.7325 9.63255 7.02927 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 6.3323 11.1132 7.44558 8.48774 4.0719 6.60933 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 7.08403 14.0364 7.02367 9.09263 5.40648 8.8822 numMergedOcc 0
17 mol 113 unq 1 iso 0 dist 7.08403 14.0364 7.02367 5.37302 3.52111 9.66219 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 6.01857 11.1675 7.42146 16.3287 10.5934 7.70232 numMergedOcc 0
19 mol 117 unq 1 iso 0 dist 6.01857 11.1675 7.42146 17.054 11.9806 7.4671 numMergedOcc 0
20 mol 117 unq 2 iso 0 dist 9.30187 6.7814 7.78789 12.6334 6.05048 7.70232 numMergedOcc 0
21 mol 117 unq 3 iso 0 dist 9.30187 6.7814 7.78789 10.3116 4.42665 7.4671 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 8.42225 15.0071 7.60162 13.2393 5.77063 8.99399 numMergedOcc 0
23 mol 122 unq 0 iso 0 dist 6.80798 4.42285 4.42563 11.7617 11.3935 9.23819 numMergedOcc 0
24 mol 122 unq 1 iso 0 dist 6.80798 4.42285 4.42563 11.999 8.90201 8.88537 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 9.48934 6.4437 9.3273 6.78469 5.16197 9.87644 numMergedOcc 0
26 mol 141 unq 1 iso 0 dist 6.41183 5.91683 9.3273 8.01453 5.16197 9.87644 numMergedOcc 0
27 mol 163 unq 0 iso 0 dist 9.37245 4.12904 8.16252 9.62943 9.10855 9.07943 numMergedOcc 0
28 mol 168 unq 0 iso 0 dist 8.00063 12.1014 8.92592 8.90876 5.71136 7.44629 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 8.17301 8.58814 9.70481 10.9891 13.4378 6.22122 numMergedOcc 0
30 mol 184 unq 0 iso 0 dist 9.10344 4.41193 8.22001 8.95598 5.69882 6.42735 numMergedOcc 0
31 mol 205 unq 0 iso 0 dist 8.93485 4.2475 9.31158 7.23557 9.43113 4.8668 numMergedOcc 0
32 mol 205 unq 1 iso 0 dist 5.66636 6.8901 9.31158 8.86587 9.43113 4.8668 numMergedOcc 0
33 mol 210 unq 0 iso 0 dist 9.25184 3.84723 6.85824 10.7279 4.73037 7.10826 numMergedOcc 0
34 mol 213 unq 0 iso 0 dist 7.49754 7.78293 8.82761 14.0634 15.5804 7.37798 numMergedOcc 0
35 mol 213 unq 1 iso 0 dist 7.49754 7.78293 8.82761 11.6475 6.78109 7.73322 numMergedOcc 0
36 mol 213 unq 2 iso 0 dist 7.49754 4.67262 4.66576 11.6475 6.78109 8.14332 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 7.68062 4.94196 6.1896 9.68811 5.34495 6.1951 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 4.90656 4.82768 5.1609 5.89818 3.98604 7.67576 numMergedOcc 0
39 mol 222 unq 1 iso 0 dist 4.90656 4.82768 5.1609 9.32543 7.99695 9.82371 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 8.1174 5.23741 8.08965 10.8785 6.82702 9.55668 numMergedOcc 0
41 mol 237 unq 0 iso 0 dist 7.69237 10.902 9.7255 10.1724 4.50383 7.41478 numMergedOcc 0
42 mol 237 unq 1 iso 0 dist 7.69237 10.902 9.7255 17.8986 12.5736 9.20822 numMergedOcc 0
43 mol 258 unq 0 iso 0 dist 9.60767 11.6193 5.4557 16.4974 7.26991 7.6595 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 9.1471 5.25853 9.18744 7.76945 3.96271 8.91712 numMergedOcc 0
45 mol 287 unq 1 iso 0 dist 7.84189 7.19628 5.30118 7.76945 5.39801 9.65934 numMergedOcc 0
46 mol 288 unq 0 iso 0 dist 9.1471 5.25853 9.18744 7.76945 3.96271 8.91712 numMergedOcc 0
47 mol 288 unq 1 iso 0 dist 7.84189 7.19628 5.30118 7.76945 5.39801 9.65934 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 9.1471 5.25853 9.18744 7.76945 3.96271 8.91712 numMergedOcc 0
49 mol 289 unq 1 iso 0 dist 7.84189 7.19628 5.30118 7.76945 5.39801 9.65934 numMergedOcc 0
