0 mol 28 unq 0 iso 0 dist 6.62508 5.51879 6.87842 6.95803 9.2146 8.10455 5.98169 11.4558 8.94643 12.2603 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.77719 9.5295 6.87842 4.3475 9.2146 8.10455 10.0347 11.4558 8.94643 12.2603 numMergedOcc 0
2 mol 168 unq 0 iso 0 dist 8.65328 7.36888 8.18217 4.18108 7.0961 3.60864 9.57924 6.06538 5.64732 5.86767 numMergedOcc 0
3 mol 168 unq 1 iso 0 dist 8.65328 7.36888 8.18217 4.18108 7.0961 3.60864 8.47439 10.919 5.52214 5.28353 numMergedOcc 0
4 mol 168 unq 2 iso 0 dist 8.65328 7.36888 8.18217 4.18108 7.0961 3.60864 12.6902 13.0096 5.80055 8.89343 numMergedOcc 0
5 mol 168 unq 3 iso 0 dist 8.65328 7.36888 8.18217 4.18108 7.0961 3.60864 13.2373 14.104 7.44481 9.52186 numMergedOcc 0
6 mol 168 unq 4 iso 0 dist 8.65328 7.36888 8.18217 3.6038 8.26768 7.08284 9.57924 6.06538 5.64732 10.293 numMergedOcc 0
7 mol 168 unq 5 iso 0 dist 8.65328 7.36888 8.18217 3.6038 8.26768 7.08284 8.47439 10.919 5.52214 10.3204 numMergedOcc 0
8 mol 168 unq 6 iso 0 dist 8.65328 7.36888 8.18217 3.6038 8.26768 7.08284 12.6902 13.0096 5.80055 12.6485 numMergedOcc 0
9 mol 168 unq 7 iso 0 dist 8.65328 7.36888 8.18217 3.6038 8.26768 7.08284 13.2373 14.104 7.44481 14.0933 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 5.87263 12.2667 7.06772 6.5732 7.65903 10.1931 6.18165 3.18152 6.27378 5.10589 numMergedOcc 0
11 mol 169 unq 1 iso 0 dist 5.87263 12.2667 7.06772 4.14139 5.97653 10.5136 6.18165 3.18152 6.27378 4.63336 numMergedOcc 0
12 mol 169 unq 2 iso 0 dist 5.87263 12.2667 7.06772 7.73206 7.75523 10.212 6.18165 3.18152 6.27378 6.10715 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 8.18482 7.58767 9.40433 8.29433 9.75417 10.3365 9.55667 3.70259 7.95437 11.8178 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 6.3407 16.0229 9.79826 12.1876 7.68686 9.27501 21.3014 15.4119 9.21286 16.1183 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 6.61768 8.13583 8.9221 7.98379 7.72861 10.1418 7.36685 3.14784 6.39822 7.8598 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 6.61768 8.13583 8.9221 7.98379 7.72861 10.1418 9.03099 5.95721 5.36518 7.80711 numMergedOcc 0
17 mol 266 unq 2 iso 0 dist 6.61768 8.13583 8.9221 4.58167 8.20376 7.63149 7.36685 3.14784 6.39822 8.25286 numMergedOcc 0
18 mol 266 unq 3 iso 0 dist 6.61768 8.13583 8.9221 4.58167 8.20376 7.63149 9.03099 5.95721 5.36518 9.9965 numMergedOcc 0
19 mol 266 unq 4 iso 0 dist 6.61768 4.80695 9.51145 7.98379 7.72861 10.3155 6.9943 3.68488 9.90506 10.9313 numMergedOcc 0
20 mol 266 unq 5 iso 0 dist 6.61768 4.80695 9.51145 7.98379 7.72861 10.3155 7.36685 3.14784 8.61077 7.8598 numMergedOcc 0
21 mol 266 unq 6 iso 0 dist 6.61768 4.80695 9.51145 7.98379 7.72861 10.3155 9.03099 5.95721 9.11585 7.80711 numMergedOcc 0
22 mol 266 unq 7 iso 0 dist 6.61768 4.80695 9.51145 4.58167 8.20376 4.39553 6.9943 3.68488 9.90506 6.96692 numMergedOcc 0
23 mol 266 unq 8 iso 0 dist 6.61768 4.80695 9.51145 4.58167 8.20376 4.39553 7.36685 3.14784 8.61077 8.25286 numMergedOcc 0
24 mol 266 unq 9 iso 0 dist 6.61768 4.80695 9.51145 4.58167 8.20376 4.39553 9.03099 5.95721 9.11585 9.9965 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 8.20902 4.00063 6.42951 9.69757 5.13533 9.21484 7.34927 10.5214 9.07744 7.98956 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 7.98589 11.2565 6.42951 5.00704 5.13533 9.21484 10.0835 10.5214 9.07744 7.98956 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 7.37164 6.18486 5.83857 7.52677 6.22311 5.1451 10.8476 5.96434 5.44942 6.24487 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 7.37164 9.62966 5.32839 7.52677 6.22311 5.15725 10.8476 5.96434 7.82157 6.24487 numMergedOcc 0
29 mol 287 unq 2 iso 0 dist 7.37164 9.62966 5.32839 7.52677 6.22311 5.15725 10.7924 7.33038 8.39976 11.983 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 7.37164 6.18486 5.83857 7.52677 6.22311 5.1451 10.8476 5.96434 5.44942 6.24487 numMergedOcc 0
31 mol 288 unq 1 iso 0 dist 7.37164 9.62966 5.32839 7.52677 6.22311 5.15725 10.8476 5.96434 7.82157 6.24487 numMergedOcc 0
32 mol 288 unq 2 iso 0 dist 7.37164 9.62966 5.32839 7.52677 6.22311 5.15725 10.7924 7.33038 8.39976 11.983 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 7.37164 6.18486 5.83857 7.52677 6.22311 5.1451 10.8476 5.96434 5.44942 6.24487 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 7.37164 9.62966 5.32839 7.52677 6.22311 5.15725 10.8476 5.96434 7.82157 6.24487 numMergedOcc 0
35 mol 289 unq 2 iso 0 dist 7.37164 9.62966 5.32839 7.52677 6.22311 5.15725 10.7924 7.33038 8.39976 11.983 numMergedOcc 0
