0 mol 7 unq 0 iso 0 dist 8.14952 5.83658 4.92824 4.47024 5.86605 6.58469 10.826 13.7022 9.60499 14.3576 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 9.3147 7.84393 10.5285 8.75332 4.99617 6.49317 9.01721 13.1233 7.82074 11.6624 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.79426 7.84393 9.84922 8.75332 13.9869 6.49317 9.01721 13.8602 7.82074 11.6624 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 9.54864 8.8058 6.0993 8.4928 10.5228 9.62257 5.09908 11.9912 8.33063 9.96399 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 9.54864 8.8058 6.0993 8.4928 10.5228 9.62257 12.5818 11.8302 6.43294 10.0962 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 9.54864 8.8058 6.0993 8.4928 10.5228 9.62257 10.0675 13.4395 8.7531 7.55695 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 6.60356 9.57498 14.3495 6.14415 6.04919 9.52882 6.89762 11.5472 6.45675 7.12017 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 9.42175 5.81552 9.60908 6.48223 7.99528 3.98564 10.626 14.3405 9.60462 7.23962 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 9.42175 5.81552 9.60908 6.48223 7.99528 3.98564 5.27363 13.2326 7.45389 7.30204 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 5.31281 9.24515 7.18757 7.73842 10.9798 11.128 5.24877 8.42445 7.5732 6.34525 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 8.9922 9.24515 7.13921 7.73842 15.009 11.128 5.24877 10.2889 7.5732 6.34525 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 7.9663 9.05626 9.97628 4.85559 4.79695 5.97111 7.09664 12.0527 8.70949 8.33077 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 6.68364 5.30872 5.4432 8.07799 7.37131 3.86476 6.3915 9.32441 5.99315 9.4792 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 8.34832 9.27989 11.4465 9.36997 12.8764 18.6229 12.1502 15.8376 6.16342 20.9592 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 8.34832 9.27989 11.4465 9.97907 14.9673 17.6269 12.1502 15.8376 6.16342 20.9521 numMergedOcc 0
15 mol 239 unq 2 iso 0 dist 8.34832 9.27989 11.4465 8.83751 8.27455 7.34872 12.1502 15.8376 6.16342 13.3923 numMergedOcc 0
16 mol 239 unq 3 iso 0 dist 8.34832 9.27989 11.4465 8.77688 13.5505 8.9361 12.1502 15.8376 6.16342 13.1682 numMergedOcc 0
17 mol 261 unq 0 iso 0 dist 9.70222 7.6414 11.544 6.40153 7.25156 8.57648 13.6041 17.2791 8.45658 16.596 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 7.50321 4.78812 5.96981 7.11691 9.0626 8.7909 5.27123 12.4617 8.33638 8.46061 numMergedOcc 0
19 mol 272 unq 1 iso 0 dist 7.50321 6.62923 7.55961 7.11691 9.0626 4.86504 11.9042 16.9946 9.97651 9.64269 numMergedOcc 0
20 mol 272 unq 2 iso 0 dist 7.50321 6.62923 7.55961 7.11691 9.0626 4.86504 5.27123 12.4617 8.46116 8.46061 numMergedOcc 0
21 mol 272 unq 3 iso 0 dist 9.61597 4.78812 6.76845 7.11691 8.41005 8.7909 5.27123 13.2205 8.33638 8.46061 numMergedOcc 0
22 mol 272 unq 4 iso 0 dist 9.61597 6.62923 5.43733 7.11691 8.41005 4.86504 11.9042 15.2989 9.97651 9.64269 numMergedOcc 0
23 mol 272 unq 5 iso 0 dist 9.61597 6.62923 5.43733 7.11691 8.41005 4.86504 5.27123 13.2205 8.46116 8.46061 numMergedOcc 0
24 mol 276 unq 0 iso 0 dist 8.14494 5.30976 9.95911 8.18672 9.66608 4.32691 7.38126 15.3786 9.8993 13.3664 numMergedOcc 0
25 mol 276 unq 1 iso 0 dist 8.14494 5.30976 9.95911 8.18672 9.66608 4.32691 6.39319 13.3495 6.87396 11.197 numMergedOcc 0
