0 mol 11 unq 0 iso 0 dist 6.49709 5.59847 4.10106 5.51815 4.61088 6.54358 13.2938 6.84216 9.89425 9.68636 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 5.36895 4.29713 7.18662 5.07641 7.99312 8.76849 7.22338 12.2915 7.31718 7.74814 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 5.36895 4.29713 7.18662 5.07641 7.99312 8.76849 5.36021 6.40219 5.47447 6.69486 numMergedOcc 0
3 mol 41 unq 2 iso 0 dist 5.36895 4.29713 7.18662 8.54745 8.2183 11.4753 7.22338 12.2915 7.31718 11.938 numMergedOcc 0
4 mol 41 unq 3 iso 0 dist 5.36895 4.29713 7.18662 8.54745 8.2183 11.4753 5.36021 6.40219 5.47447 7.02983 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 6.77833 8.63204 12.7012 5.33532 9.65964 13.3074 5.00416 11.5684 7.99194 6.93285 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 6.77833 5.4014 8.20805 5.33532 9.65964 10.4272 5.00416 11.5684 7.80313 6.93285 numMergedOcc 0
7 mol 70 unq 2 iso 0 dist 9.83265 9.19079 12.7012 7.6455 9.65964 13.3074 4.00828 11.5684 7.99194 6.93285 numMergedOcc 0
8 mol 70 unq 3 iso 0 dist 9.83265 8.37742 8.20805 7.6455 9.65964 10.4272 4.00828 11.5684 7.80313 6.93285 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 9.43143 9.73435 4.03844 10.5786 8.8178 12.4827 15.4242 12.0815 8.39955 19.9421 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 9.43143 9.73435 4.03844 16.2349 9.96708 12.111 15.4242 12.0815 8.39955 16.024 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 9.29446 8.56119 9.76194 11.2307 7.9245 15.2056 9.62606 10.1937 9.80913 9.6123 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 7.90775 8.57607 4.99174 4.16047 9.03572 8.27883 6.56529 7.51733 4.3439 4.73066 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 7.90775 6.1991 4.46005 4.16047 9.03572 5.75428 6.56529 7.51733 6.05855 4.73066 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 5.65129 8.56324 6.59889 14.7423 10.338 8.60651 10.6994 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 8.34839 9.4275 5.39112 10.5295 6.70283 6.70693 14.7423 10.338 8.60651 4.68615 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 8.34839 9.4275 5.39112 10.7929 7.16148 10.4895 14.7423 10.338 8.60651 9.35878 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 6.28961 8.89822 5.7891 5.3864 8.49164 13.0153 12.9917 9.37946 4.11374 17.056 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 6.28961 8.89822 5.7891 5.3864 8.49164 13.0153 12.2955 9.13646 8.37602 13.8168 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 9.25882 6.32553 3.56269 9.40714 7.80463 6.52816 3.30102 8.26637 4.97301 6.49049 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 9.43611 5.56977 8.48942 11.2069 8.82096 13.7978 6.35783 14.8017 8.7434 15.0657 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 7.23956 9.22453 3.97543 15.6875 9.7748 12.1398 9.7252 4.9764 5.13533 11.8607 numMergedOcc 0
