0 mol 14 unq 0 iso 0 dist 9.35488 4.92048 8.79533 14.4041 9.31271 16.5607 18.1123 10.3326 18.2908 9.04767 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.24798 5.3982 6.72533 4.25207 6.39243 4.96555 11.0331 15.2831 13.7283 9.51761 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 8.24798 5.3982 6.72533 4.25207 6.39243 4.96555 11.4245 9.30561 11.0264 7.3094 numMergedOcc 0
3 mol 18 unq 2 iso 0 dist 8.02079 5.3982 8.29216 4.25207 9.1715 4.96555 11.0331 17.8306 13.7283 9.51761 numMergedOcc 0
4 mol 18 unq 3 iso 0 dist 8.02079 5.3982 8.29216 4.25207 9.1715 4.96555 11.4245 14.3582 11.0264 7.3094 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 8.34361 4.94741 6.10175 13.2619 6.54183 10.1356 5.97635 5.65405 5.59773 8.10861 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 6.04611 7.25142 9.68277 9.299 5.57265 10.1493 11.351 5.58109 13.4136 7.9245 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 9.56911 6.91704 8.39015 5.36296 8.44515 10.4263 10.1738 6.1985 12.6828 5.83409 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 7.68053 7.84652 8.39015 4.8042 8.44515 10.4263 7.75811 6.1985 12.6828 5.83409 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.85708 8.3896 5.24519 4.60144 8.81172 6.29427 11.3462 5.34484 7.70533 9.84395 numMergedOcc 0
10 mol 125 unq 0 iso 0 dist 8.12448 5.49502 9.64304 4.71345 6.03557 9.19339 12.3235 5.14495 14.6763 8.62381 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 8.18597 7.03513 7.99145 5.92777 7.71761 11.4528 8.7511 5.841 9.17826 7.55216 numMergedOcc 0
12 mol 230 unq 0 iso 0 dist 8.95575 4.35944 5.00735 8.898 5.62804 7.07028 11.8177 6.33989 8.43766 6.7547 numMergedOcc 0
13 mol 230 unq 1 iso 0 dist 8.95575 5.31386 6.73755 8.898 5.62804 5.26217 11.8177 6.33989 10.6474 6.7547 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.87224 7.04644 4.21935 9.86326 6.83046 5.29737 13.2218 4.77446 6.37342 6.16342 numMergedOcc 0
15 mol 256 unq 0 iso 0 dist 8.88264 9.7941 8.11884 6.4717 5.98967 9.07441 12.8383 6.64029 14.2736 8.29103 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 6.41167 3.95075 6.59521 7.52881 8.21585 9.22664 5.73834 5.13233 8.58088 6.42289 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 5.16838 5.45575 7.4294 4.62072 5.75874 6.9607 5.90645 5.20592 10.3594 8.53687 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 5.16838 10.6997 8.37253 4.62072 5.75874 6.68041 5.90645 5.20592 12.6542 8.53687 numMergedOcc 0
19 mol 280 unq 0 iso 0 dist 4.26671 10.0698 9.047 10.0206 8.80588 14.1091 9.16248 8.30978 16.7212 6.53701 numMergedOcc 0
20 mol 280 unq 1 iso 0 dist 4.26671 10.0698 9.047 10.0206 8.80588 14.1091 9.02427 5.80223 13.1827 6.0664 numMergedOcc 0
21 mol 280 unq 2 iso 0 dist 4.26671 11.2544 9.9227 10.0206 8.80588 4.95798 9.16248 8.30978 11.1402 6.53701 numMergedOcc 0
22 mol 280 unq 3 iso 0 dist 4.26671 11.2544 9.9227 10.0206 8.80588 4.95798 9.02427 5.80223 8.85762 6.0664 numMergedOcc 0
