0 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 8.59466 7.36323 12.3067 12.0896 6.7846 8.23075 10.551 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.40392 8.23069 5.54419 8.59466 7.36323 12.3067 11.6432 8.03955 4.7841 14.1707 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 10.4413 6.20293 8.13395 9.72346 9.86609 7.39848 11.4251 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.90024 13.9129 8.80331 5.84171 6.20293 8.13395 15.8838 9.86609 7.39848 11.4251 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 5.48831 13.0773 9.96708 10.5933 9.78528 8.24309 14.1978 10.7434 4.86198 6.62699 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 5.48831 10.5933 9.78528 13.0773 9.96708 8.24309 14.1978 10.7434 6.62699 4.86198 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 9.53239 7.97049 5.42586 15.1781 8.18948 8.04242 11.5901 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 6.86713 10.3731 9.03572 7.4052 8.83255 6.59319 10.575 4.73066 7.51733 9.01607 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 6.86713 10.3731 9.03572 9.70895 8.03644 16.6055 10.575 4.73066 7.51733 11.5898 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 6.86713 7.4052 8.83255 10.3731 9.03572 6.59319 10.575 4.73066 9.01607 7.51733 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 6.86713 7.4052 8.83255 9.70895 8.03644 13.8105 10.575 4.73066 9.01607 11.5898 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 6.23645 6.47836 6.90986 4.96719 7.11972 10.498 9.82655 6.34182 5.93278 12.8676 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 6.23645 6.47836 6.90986 4.96719 7.11972 10.498 10.4156 8.66957 6.19918 14.3131 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 5.06555 5.61914 6.44653 7.75534 8.75408 5.23036 8.0889 5.61274 7.53694 12.0528 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 5.06555 5.61914 6.44653 7.75534 8.75408 5.23036 8.34958 3.35803 8.38358 10.8176 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.94179 6.75154 6.5107 6.70853 9.52634 9.56949 11.7708 6.12885 5.78814 11.6108 numMergedOcc 0
16 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 13.5268 7.73169 5.50998 10.3674 4.05822 8.04118 8.39035 numMergedOcc 0
17 mol 142 unq 1 iso 0 dist 8.86346 16.7609 9.2313 12.1759 8.96657 11.1395 10.3674 4.05822 8.04118 11.6454 numMergedOcc 0
18 mol 142 unq 2 iso 0 dist 8.86346 13.5268 7.73169 16.7609 9.2313 5.50998 10.3674 4.05822 8.39035 8.04118 numMergedOcc 0
19 mol 142 unq 3 iso 0 dist 8.86346 13.5268 7.73169 12.1759 8.96657 5.92693 10.3674 4.05822 8.39035 11.6454 numMergedOcc 0
20 mol 142 unq 4 iso 0 dist 4.93681 12.8283 9.2313 10.1677 7.73169 5.50998 6.4119 4.05822 8.04118 8.39035 numMergedOcc 0
21 mol 142 unq 5 iso 0 dist 4.93681 12.8283 9.2313 10.0866 8.96657 11.1395 6.4119 4.05822 8.04118 11.6454 numMergedOcc 0
22 mol 142 unq 6 iso 0 dist 4.93681 10.1677 7.73169 12.8283 9.2313 5.50998 6.4119 4.05822 8.39035 8.04118 numMergedOcc 0
23 mol 142 unq 7 iso 0 dist 4.93681 10.1677 7.73169 10.0866 8.96657 5.92693 6.4119 4.05822 8.39035 11.6454 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 8.34839 5.65129 8.56324 10.5295 6.70283 7.65448 10.561 9.73449 7.55934 11.2397 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 8.34839 5.65129 8.56324 10.7929 7.16148 10.6875 10.561 9.73449 7.55934 15.1951 numMergedOcc 0
26 mol 248 unq 0 iso 0 dist 7.40475 7.63032 7.69895 6.42334 7.21521 5.55137 5.76741 6.19721 7.79063 9.64778 numMergedOcc 0
27 mol 248 unq 1 iso 0 dist 7.40475 7.63032 7.69895 6.86606 8.2965 10.8081 5.76741 6.19721 7.79063 11.1716 numMergedOcc 0
28 mol 248 unq 2 iso 0 dist 7.40475 6.42334 7.21521 7.63032 7.69895 5.55137 5.76741 6.19721 9.64778 7.79063 numMergedOcc 0
29 mol 248 unq 3 iso 0 dist 7.40475 6.42334 7.21521 6.86606 8.2965 5.86196 5.76741 6.19721 9.64778 11.1716 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 9.80409 6.39263 8.45658 4.63237 9.14619 7.00201 8.55479 11.4108 8.24356 12.3855 numMergedOcc 0
