0 mol 26 unq 0 iso 0 dist 7.46207 4.94576 6.12361 7.35595 8.82012 10.6118 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 9.70415 16.1844 8.44473 10.4362 8.76003 10.8911 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.41567 12.4141 7.46657 7.5192 6.21982 6.14439 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 5.56964 12.0214 8.77218 11.2136 8.97793 10.8271 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 5.56964 12.0214 8.77218 7.5192 8.19682 13.1819 numMergedOcc 0
5 mol 76 unq 3 iso 0 dist 6.62246 10.3695 7.46657 9.82998 6.21982 6.14439 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 6.09906 5.46484 8.0139 12.0756 7.87814 13.7384 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 5.70279 7.2371 9.22737 11.8754 7.75343 10.2716 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.84523 8.49138 9.41191 5.38332 5.87358 7.32599 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 7.27598 10.3591 6.48328 7.26771 5.42582 5.0903 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 5.57904 5.86552 8.86784 7.26771 8.6355 10.0815 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 9.68229 10.3818 8.67876 5.35291 6.95323 6.57826 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 6.87299 13.3408 9.88662 5.16833 8.33261 10.9183 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 8.3705 5.87625 7.04524 12.124 8.36117 10.9358 numMergedOcc 0
14 mol 195 unq 1 iso 0 dist 8.3705 5.87625 7.04524 6.91511 6.77578 7.60158 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 6.21273 11.173 5.39218 5.33649 6.84247 9.46015 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 6.21273 11.173 5.39218 12.5011 6.99002 4.51612 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.60159 7.50456 8.27093 7.35206 8.17891 6.92493 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 7.71761 5.76444 9.78611 10.1071 8.83563 6.3793 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 5.67917 4.35015 8.6771 10.761 9.90142 8.92747 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 8.96639 4.35015 9.58767 12.8735 9.68513 10.8712 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 8.96639 4.35015 9.58767 10.761 5.9216 8.92747 numMergedOcc 0
22 mol 241 unq 0 iso 0 dist 8.98668 9.5511 7.73213 13.6264 6.83797 6.83816 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 6.94113 5.66381 6.11671 8.36147 7.50578 3.83813 numMergedOcc 0
