0 mol 28 unq 0 iso 0 dist 6.14086 6.82151 8.53424 14.1676 10.8301 9.56722 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 6.76158 4.3475 8.53424 10.5176 10.8301 9.56722 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 6.31487 6.82151 7.08766 14.1676 10.0008 9.56722 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 7.423 4.3475 7.08766 10.5176 10.0008 9.56722 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 7.07851 6.82151 4.82199 14.1676 7.55139 9.56722 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 5.89257 4.3475 4.82199 10.5176 7.55139 9.56722 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 7.32472 4.61111 4.75881 7.77613 5.29955 7.68019 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 8.13664 8.59614 3.77542 11.8588 3.8412 5.81662 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 9.80453 8.42234 9.05737 8.9175 3.42062 6.77802 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 6.0827 5.4275 4.46067 7.63855 4.29679 6.51901 numMergedOcc 0
10 mol 62 unq 1 iso 0 dist 6.0827 5.4275 4.46067 5.48766 8.07308 9.1926 numMergedOcc 0
11 mol 62 unq 2 iso 0 dist 5.23167 3.89181 4.46067 6.75432 3.70802 7.49792 numMergedOcc 0
12 mol 62 unq 3 iso 0 dist 5.23167 3.89181 4.46067 8.45469 3.66673 6.58981 numMergedOcc 0
13 mol 62 unq 4 iso 0 dist 7.47607 5.72955 4.46067 10.0797 3.70802 7.49792 numMergedOcc 0
14 mol 62 unq 5 iso 0 dist 7.47607 5.72955 4.46067 10.7976 3.66673 6.58981 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 8.26805 6.27527 7.66068 11.4364 8.58059 8.63792 numMergedOcc 0
16 mol 76 unq 1 iso 0 dist 9.68577 6.27527 9.5043 11.4364 14.7497 8.63792 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 7.61514 10.8634 6.67137 6.24764 3.81285 8.15861 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 8.21116 10.8634 7.04244 6.24764 6.17121 8.15861 numMergedOcc 0
19 mol 90 unq 0 iso 0 dist 7.30934 4.3421 5.24346 9.25793 3.79142 6.77993 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 6.06155 7.0652 8.71366 7.04155 3.89959 8.92653 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 9.00481 9.83939 5.31126 16.9613 12.8761 9.44 numMergedOcc 0
22 mol 113 unq 1 iso 0 dist 9.00481 9.2752 7.16619 16.9613 12.8761 8.47634 numMergedOcc 0
23 mol 176 unq 0 iso 0 dist 6.32254 4.03856 8.65645 7.06005 3.75017 9.40603 numMergedOcc 0
24 mol 176 unq 1 iso 0 dist 6.32254 5.25264 6.85902 9.50494 3.84631 8.00223 numMergedOcc 0
25 mol 176 unq 2 iso 0 dist 8.89556 6.94233 8.65645 10.5912 3.75017 9.40603 numMergedOcc 0
26 mol 176 unq 3 iso 0 dist 8.89556 3.97245 6.85902 11.1439 3.84631 8.00223 numMergedOcc 0
27 mol 225 unq 0 iso 0 dist 6.15671 8.58432 9.54529 9.21721 6.46348 5.65735 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 6.02628 5.30931 7.04263 13.1149 9.99682 9.11501 numMergedOcc 0
29 mol 260 unq 1 iso 0 dist 5.33278 8.90225 6.48099 12.786 7.52009 9.11501 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 6.9943 4.58167 6.96692 9.81029 9.23405 5.28746 numMergedOcc 0
31 mol 266 unq 1 iso 0 dist 7.36685 4.58167 8.25286 9.81029 11.313 5.28746 numMergedOcc 0
32 mol 266 unq 2 iso 0 dist 9.20906 16.8584 9.9965 20.4649 13.005 5.28746 numMergedOcc 0
33 mol 266 unq 3 iso 0 dist 9.03099 4.58167 9.9965 9.81029 13.005 5.28746 numMergedOcc 0
34 mol 281 unq 0 iso 0 dist 8.78416 16.2332 7.90368 9.79394 3.86368 7.43535 numMergedOcc 0
35 mol 281 unq 1 iso 0 dist 7.82358 12.9503 7.90368 6.52115 3.86368 7.43535 numMergedOcc 0
