0 mol 7 unq 0 iso 0 dist 8.57437 9.33944 9.32945 17.7278 9.85726 17.302 9.8603 4.57188 6.22805 11.0773 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.42142 5.06934 7.66311 5.63648 8.39221 4.15151 8.13983 7.00835 8.91266 6.38364 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.56648 10.143 7.88676 5.48395 5.84479 5.66097 12.9591 6.53177 7.46752 7.63133 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 9.56648 10.143 7.88676 10.1011 8.67719 6.06561 12.9591 6.53177 7.46752 5.46498 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 9.94799 8.40505 5.86972 15.3073 9.23576 7.46414 15.7229 10.4994 8.86547 10.3882 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 5.58346 7.53682 5.39171 4.69583 6.89722 10.5627 9.43662 8.04817 4.24428 11.4799 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 5.58346 7.53682 5.39171 4.69583 6.89722 10.5627 6.18305 5.2774 6.30194 6.19304 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 9.10386 7.53682 9.27355 15.7901 9.68526 10.8067 9.43662 9.76331 4.24428 8.9232 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 9.10386 7.53682 9.27355 15.7901 9.68526 10.8067 6.18305 5.44275 6.30194 10.2049 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 9.10386 7.53682 9.27355 4.69583 7.26679 10.5627 9.43662 9.76331 4.24428 11.4799 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 9.10386 7.53682 9.27355 4.69583 7.26679 10.5627 6.18305 5.44275 6.30194 6.19304 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 9.10386 7.53682 9.27355 15.8603 9.30776 17.4113 9.43662 9.76331 4.24428 16.0453 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 9.10386 7.53682 9.27355 15.8603 9.30776 17.4113 6.18305 5.44275 6.30194 11.6369 numMergedOcc 0
13 mol 73 unq 8 iso 0 dist 9.66744 14.7261 5.39171 8.59095 6.89722 10.5627 17.4326 8.04817 4.24428 11.4799 numMergedOcc 0
14 mol 73 unq 9 iso 0 dist 9.66744 14.7261 5.39171 8.59095 6.89722 10.5627 12.9661 5.2774 6.30194 6.19304 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 8.52125 13.5152 6.60356 5.89399 6.78459 9.96864 22.5199 14.3495 9.57498 18.696 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 8.74076 5.06139 6.23346 9.31615 9.54235 9.6645 12.9008 5.53578 8.56954 13.1006 numMergedOcc 0
17 mol 230 unq 1 iso 0 dist 8.74076 5.06139 6.23346 9.31615 9.54235 9.6645 13.1282 7.7551 9.23938 16.6739 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.91921 6.12122 6.74214 4.7157 9.31417 6.3873 13.4809 10.4952 8.89538 10.3007 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 9.91921 6.12122 6.74214 4.7157 9.31417 6.3873 6.2365 6.62361 7.98022 5.72887 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 8.20243 6.12122 5.33462 4.7157 5.56719 6.3873 13.4809 7.22173 8.89538 10.3007 numMergedOcc 0
21 mol 238 unq 3 iso 0 dist 8.20243 6.12122 5.33462 4.7157 5.56719 6.3873 6.2365 5.96552 7.98022 5.72887 numMergedOcc 0
22 mol 241 unq 0 iso 0 dist 8.15897 6.70277 9.174 9.87799 9.72526 7.93809 9.18476 4.86437 6.40592 7.4631 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 5.98006 5.73217 6.76656 6.64729 6.77279 10.908 8.06771 5.71237 6.96379 8.13497 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 5.98006 5.73217 6.76656 9.79538 9.58006 12.7595 8.06771 5.71237 6.96379 7.88519 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 8.05522 11.7681 7.61232 5.428 9.01085 8.57403 12.5282 5.11257 6.80096 11.8809 numMergedOcc 0
26 mol 264 unq 1 iso 0 dist 8.05522 11.7681 7.61232 4.75604 6.28512 8.70128 12.5282 5.11257 6.80096 10.6405 numMergedOcc 0
27 mol 264 unq 2 iso 0 dist 9.8799 4.93509 7.61232 11.079 9.01085 8.57403 6.83408 5.11257 6.80096 11.8809 numMergedOcc 0
28 mol 264 unq 3 iso 0 dist 9.8799 4.93509 7.61232 12.5841 6.28512 8.70128 6.83408 5.11257 6.80096 10.6405 numMergedOcc 0
29 mol 265 unq 0 iso 0 dist 8.22353 8.39994 9.56472 7.73011 9.72927 15.3912 11.5176 15.4199 7.54805 18.8774 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 7.62562 10.4456 6.12202 6.96875 7.79904 5.7574 11.9266 7.96313 9.81087 10.3851 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 7.62562 10.4456 6.12202 15.8929 9.02749 7.23876 11.9266 7.96313 9.81087 12.8531 numMergedOcc 0
