0 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 8.69454 8.55451 9.64824 11.0722 8.83269 5.55437 9.64222 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 9.78006 3.98483 5.84314 5.8245 7.05919 11.0722 8.83269 5.55437 8.17486 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 5.11636 7.95042 8.24948 11.2106 13.0257 9.40479 9.57743 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 5.11636 7.95042 8.24948 5.97304 6.60423 9.38831 4.47891 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 11.6226 8.09311 10.8583 6.58998 6.72502 9.38831 9.94429 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 13.1949 9.05357 14.2818 6.58998 6.72502 9.38831 6.88355 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 5.07458 6.66407 7.24352 5.48048 8.44903 7.31982 4.69849 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 5.73819 8.44903 5.48048 4.96926 6.75943 7.15901 5.64171 8.60739 7.31982 4.55347 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 5.03039 6.04595 8.4965 7.21418 10.0289 8.71286 8.80697 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 6.01673 6.24825 10.6602 7.21418 10.9766 8.71286 10.6688 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 6.11741 5.74857 6.08806 6.07067 6.39384 10.3973 7.3094 10.9734 8.71286 10.5109 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 7.88312 5.74857 7.21418 11.835 7.69765 14.0614 7.3094 5.72642 8.71286 7.27912 numMergedOcc 0
12 mol 115 unq 4 iso 0 dist 7.88312 5.74857 7.21418 6.07067 9.42082 10.3973 7.3094 5.72642 8.71286 10.5109 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 9.68677 7.64052 9.57341 4.91132 8.56342 8.03035 6.29394 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.73993 7.77116 3.78311 9.68677 7.64052 9.57341 6.08167 6.37542 7.6968 9.64502 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 4.78563 5.37047 13.1913 10.8441 13.4668 5.73236 15.2605 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 5.87555 8.35555 5.59336 4.94983 6.70693 7.1069 7.78913 9.39331 8.60521 10.6183 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 5.87555 8.35555 5.59336 4.94983 6.70693 7.1069 5.70788 8.28642 6.39031 4.71678 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.29945 8.0154 4.24624 11.0361 9.63417 12.349 12.3408 5.4969 7.32419 9.37652 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 9.29945 8.0154 4.24624 11.0361 9.63417 12.349 8.68081 6.4318 8.31961 4.52999 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 7.22101 8.03442 10.5813 5.0317 5.23634 9.43618 11.0628 8.38865 9.56257 7.3164 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 8.65997 8.03442 7.22396 5.0317 6.91318 9.43618 11.0628 5.4694 9.56257 7.3164 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 7.19638 7.50201 7.63376 7.40852 7.15764 5.9974 5.25252 6.86945 8.55481 4.34126 numMergedOcc 0
