0 mol 24 unq 0 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 13.7241 9.90845 9.03541 9.59761 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.11056 8.94703 4.79736 6.9756 8.38394 10.6772 13.7241 9.90845 9.03541 9.89489 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 5.89178 14.4726 9.94577 9.36442 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.87281 8.27137 14.1577 6.17631 7.31767 11.4732 5.89178 14.544 9.94577 8.17881 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 7.63928 8.27137 14.321 6.17631 6.03987 11.4732 5.89178 12.0581 9.94577 8.17881 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.36193 8.85156 4.23671 5.40367 6.62496 10.2845 7.63046 7.84983 8.63912 11.5882 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 4.88613 8.85156 5.6823 5.40367 6.35756 10.2845 7.63046 9.56737 8.63912 11.5882 numMergedOcc 0
7 mol 71 unq 0 iso 0 dist 9.50139 9.47964 11.9362 6.53623 7.38797 14.291 13.6309 16.3253 8.23389 17.3704 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 8.78063 6.97941 9.76346 15.9053 13.2454 9.3711 15.6966 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 5.28901 7.30858 6.04595 7.4889 11.1013 8.32738 5.78906 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 5.02717 6.31773 5.03039 6.75472 5.83991 10.5599 7.4889 11.1013 8.32738 14.24 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 7.4889 11.1013 8.32738 17.0053 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 6.18763 9.10803 9.85023 5.3154 6.18601 13.6983 10.872 13.3876 6.39945 15.6781 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 6.18763 9.10803 9.85023 5.3154 6.18601 13.6983 12.1048 15.6032 7.14258 17.3945 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 8.44385 9.10803 12.4829 12.1192 9.87172 20.14 10.872 16.4385 6.39945 22.7686 numMergedOcc 0
15 mol 119 unq 3 iso 0 dist 8.44385 9.10803 12.4829 12.1192 9.87172 20.14 12.1048 13.6653 7.14258 21.9684 numMergedOcc 0
16 mol 119 unq 4 iso 0 dist 5.63005 9.10803 8.84069 10.5268 8.73993 16.2889 10.872 11.7808 6.39945 16.2277 numMergedOcc 0
17 mol 119 unq 5 iso 0 dist 5.63005 9.10803 8.84069 10.5268 8.73993 16.2889 12.1048 9.42766 7.14258 14.0677 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 3.96103 8.70949 6.93139 6.44931 10.0634 6.98077 5.50335 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 5.4913 8.69512 12.8695 6.8901 7.45763 14.2129 14.2869 17.5542 8.71347 21.0275 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.66555 6.96382 6.82305 12.2428 6.22714 10.1172 15.2081 10.2654 8.28643 12.1448 numMergedOcc 0
