0 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 8.90581 5.02236 8.50024 7.88072 7.22162 3.90342 5.6849 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.36915 9.53081 13.2937 6.42242 13.1229 5.84184 5.43913 5.44336 13.4515 10.8889 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.36915 9.53081 13.2937 6.42242 13.1229 5.84184 8.26877 10.4965 17.6258 13.697 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 6.01454 9.53081 5.41488 6.42242 6.98858 5.84184 5.43913 9.12054 13.4515 10.8889 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 6.01454 9.53081 5.41488 6.42242 6.98858 5.84184 8.26877 13.688 17.6258 13.697 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.41952 8.64686 9.57704 7.99438 9.30887 14.0351 6.65972 8.14479 4.13187 10.2709 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 7.41952 8.64686 9.57704 7.99438 9.30887 14.0351 4.2253 9.07516 9.13196 6.1647 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 7.41952 8.64686 9.57704 6.64915 11.3722 13.4228 6.65972 8.14479 4.13187 9.87964 numMergedOcc 0
8 mol 79 unq 3 iso 0 dist 7.41952 8.64686 9.57704 6.64915 11.3722 13.4228 4.2253 9.07516 9.13196 4.31939 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 5.78962 8.91354 7.47242 6.93893 9.0185 5.06999 8.91998 5.4863 10.8497 12.8723 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 9.59989 6.85551 9.94274 5.79029 9.33914 6.57529 9.98689 9.80262 6.21834 11.7621 numMergedOcc 0
11 mol 165 unq 1 iso 0 dist 9.59989 6.85551 9.94274 5.79029 9.33914 6.57529 5.93144 11.7431 11.5982 6.57937 numMergedOcc 0
12 mol 198 unq 0 iso 0 dist 4.58291 8.51153 3.96154 8.28295 5.47473 5.3597 7.94413 6.52619 7.14873 4.73496 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 7.00683 9.52029 8.61406 9.46973 6.08392 4.29037 9.41594 4.96901 9.47121 8.51539 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 7.00683 9.52029 8.61406 9.46973 6.08392 4.29037 9.92651 3.72258 11.8097 9.07662 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 8.85051 5.50843 9.16476 8.01593 7.62813 3.86973 6.2222 numMergedOcc 0
16 mol 244 unq 0 iso 0 dist 6.51428 7.43391 4.69664 9.97458 16.0237 16.3 9.3491 12.2668 9.14405 11.7712 numMergedOcc 0
17 mol 244 unq 1 iso 0 dist 6.51428 7.79787 13.4155 9.97458 16.0237 4.89551 9.3491 12.2668 6.88123 11.7712 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 9.29922 13.4771 15.4124 9.98182 6.3791 5.04826 18.0446 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 9.29922 12.7014 15.4124 9.98182 9.86569 5.04826 18.0446 numMergedOcc 0
