0 mol 45 unq 0 iso 0 dist 8.23418 12.8536 8.13782 13.5961 7.39653 6.99408 17.3761 9.85038 7.21995 8.26635 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 8.23418 12.8536 8.13782 13.5961 7.39653 6.99408 19.6043 13.1805 9.62637 13.4503 numMergedOcc 0
2 mol 45 unq 2 iso 0 dist 8.23418 12.8536 8.13782 18.362 10.6095 9.3403 17.3761 9.85038 7.21995 5.05051 numMergedOcc 0
3 mol 45 unq 3 iso 0 dist 8.23418 12.8536 8.13782 18.362 10.6095 9.3403 19.6043 13.1805 9.62637 10.6148 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.36283 5.39389 7.99631 5.11612 6.34759 7.76729 12.9167 11.4407 7.70313 14.0688 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 6.33375 6.15672 6.4218 6.76166 5.9915 8.94837 12.8792 12.2578 6.93279 14.2198 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 6.33375 6.15672 6.4218 7.2977 10.7186 7.77454 12.8792 12.2578 6.93279 11.147 numMergedOcc 0
7 mol 140 unq 0 iso 0 dist 7.59889 10.1479 5.63811 13.4254 6.69673 6.95323 11.315 4.35399 8.60108 5.64422 numMergedOcc 0
8 mol 140 unq 1 iso 0 dist 7.59889 10.1479 5.63811 15.3913 8.17877 7.27371 11.315 4.35399 8.60108 7.3833 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.96294 9.64591 6.2135 12.8991 7.57216 6.93652 14.1512 8.7258 5.26989 7.42649 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 6.96294 9.64591 6.2135 12.8991 7.57216 6.93652 11.983 6.67552 7.76442 10.6531 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 6.96294 9.64591 6.2135 13.7269 6.96143 9.54444 14.1512 8.7258 5.26989 8.39549 numMergedOcc 0
12 mol 141 unq 3 iso 0 dist 6.96294 9.64591 6.2135 13.7269 6.96143 9.54444 11.983 6.67552 7.76442 8.43221 numMergedOcc 0
13 mol 141 unq 4 iso 0 dist 9.76389 10.6438 6.2135 11.6196 7.57216 6.93652 15.5018 8.7258 5.26989 7.42649 numMergedOcc 0
14 mol 141 unq 5 iso 0 dist 9.76389 10.6438 6.2135 11.6196 7.57216 6.93652 15.8945 6.67552 7.76442 10.6531 numMergedOcc 0
15 mol 141 unq 6 iso 0 dist 9.76389 10.6438 6.2135 14.6025 6.96143 9.54444 15.5018 8.7258 5.26989 8.39549 numMergedOcc 0
16 mol 141 unq 7 iso 0 dist 9.76389 10.6438 6.2135 14.6025 6.96143 9.54444 15.8945 6.67552 7.76442 8.43221 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 7.06919 6.77092 4.79852 14.9052 11.0415 9.8589 10.7125 4.30489 5.4997 8.29015 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 7.06919 6.77092 4.79852 14.9052 11.0415 9.8589 8.70622 4.57622 6.99693 14.7282 numMergedOcc 0
19 mol 175 unq 2 iso 0 dist 7.06919 6.77092 4.79852 10.2595 5.0384 7.24908 10.7125 4.30489 5.4997 4.63177 numMergedOcc 0
20 mol 175 unq 3 iso 0 dist 7.06919 6.77092 4.79852 10.2595 5.0384 7.24908 8.70622 4.57622 6.99693 9.30597 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 7.82604 9.09192 8.20656 7.15963 8.25067 6.94688 12.8705 14.048 9.06217 6.6251 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 7.82604 12.1848 9.40622 7.15963 8.25067 6.71012 12.8705 14.048 7.13252 6.6251 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 7.21089 15.3506 8.75834 17.6996 10.7506 5.50387 24.6208 17.6349 9.47117 8.32583 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 6.553 12.2893 8.49841 4.91961 5.56749 9.5707 9.33455 7.17691 7.43663 10.0059 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 7.8126 9.12208 7.27958 15.154 10.6981 8.21247 11.4588 4.29892 7.95766 7.60081 numMergedOcc 0
