0 mol 24 unq 0 iso 0 dist 9.97806 7.63824 7.33787 4.09817 13.6023 9.58192 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.32779 7.63824 5.43498 4.09817 9.80832 9.58192 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.94728 5.11382 3.94196 4.79206 10.8697 7.7447 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.33902 5.11382 13.466 4.79206 11.8618 7.7447 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 8.28713 6.32052 6.96814 8.79311 15.0246 9.59073 numMergedOcc 0
5 mol 51 unq 0 iso 0 dist 8.58008 6.64146 8.2204 4.85938 12.199 9.11764 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 8.19721 7.49792 4.29679 8.03921 11.3849 8.93807 numMergedOcc 0
7 mol 62 unq 1 iso 0 dist 8.19721 6.51901 3.70802 5.90259 10.623 7.16844 numMergedOcc 0
8 mol 62 unq 2 iso 0 dist 6.84323 6.58981 4.29679 5.81231 11.3849 8.93807 numMergedOcc 0
9 mol 62 unq 3 iso 0 dist 6.84323 6.51901 3.66673 5.90259 8.09973 7.16844 numMergedOcc 0
10 mol 62 unq 4 iso 0 dist 7.24768 6.58981 8.07308 5.81231 10.3746 8.93807 numMergedOcc 0
11 mol 62 unq 5 iso 0 dist 7.24768 9.1926 3.66673 6.38075 8.09973 7.16844 numMergedOcc 0
12 mol 62 unq 6 iso 0 dist 8.51622 6.58981 10.3525 5.81231 13.6914 8.93807 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.52742 6.56288 3.81285 8.175 6.24296 4.29937 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.52742 6.56288 3.81285 9.3414 6.83218 3.65628 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 7.52742 6.56288 3.81285 14.8394 10.9154 9.77774 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 7.52742 5.97559 6.17121 8.175 6.24296 5.37869 numMergedOcc 0
17 mol 85 unq 4 iso 0 dist 7.52742 5.97559 6.17121 9.3414 6.83218 4.05415 numMergedOcc 0
18 mol 85 unq 5 iso 0 dist 7.52742 5.97559 6.17121 14.8394 10.9154 9.97944 numMergedOcc 0
19 mol 93 unq 0 iso 0 dist 5.27541 5.96189 3.99275 8.99253 9.43355 8.28591 numMergedOcc 0
20 mol 93 unq 1 iso 0 dist 5.27541 5.96189 3.99275 3.78587 5.64141 5.35008 numMergedOcc 0
21 mol 93 unq 2 iso 0 dist 5.27541 5.96189 3.99275 10.5386 5.46186 8.30921 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 6.4081 9.98215 5.47525 3.94084 5.82551 8.72957 numMergedOcc 0
23 mol 116 unq 0 iso 0 dist 8.56629 8.55413 11.987 14.4915 18.84 9.87354 numMergedOcc 0
24 mol 116 unq 1 iso 0 dist 7.56091 8.55413 6.88393 14.4915 13.6079 9.87354 numMergedOcc 0
25 mol 176 unq 0 iso 0 dist 6.21825 8.90797 10.5042 15.1544 18.824 9.9109 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 5.52744 7.00382 8.73397 5.74741 5.00402 9.4366 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 9.06541 8.09863 7.73968 7.17392 9.90308 6.39122 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 9.64578 7.45508 9.1722 10.7383 16.7322 7.97504 numMergedOcc 0
29 mol 239 unq 1 iso 0 dist 7.02833 7.45508 11.2097 10.7383 15.1546 7.97504 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 5.06731 8.15636 6.00938 6.60353 7.51385 6.22311 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 5.06731 6.05363 3.76412 11.2805 9.98518 8.06767 numMergedOcc 0
32 mol 287 unq 2 iso 0 dist 5.06731 6.05363 3.76412 6.24038 10.8038 9.91087 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 5.06731 8.15636 6.00938 6.60353 7.51385 6.22311 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 5.06731 6.05363 3.76412 11.2805 9.98518 8.06767 numMergedOcc 0
35 mol 288 unq 2 iso 0 dist 5.06731 6.05363 3.76412 6.24038 10.8038 9.91087 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 5.06731 8.15636 6.00938 6.60353 7.51385 6.22311 numMergedOcc 0
37 mol 289 unq 1 iso 0 dist 5.06731 6.05363 3.76412 11.2805 9.98518 8.06767 numMergedOcc 0
38 mol 289 unq 2 iso 0 dist 5.06731 6.05363 3.76412 6.24038 10.8038 9.91087 numMergedOcc 0
