0 mol 7 unq 0 iso 0 dist 5.77374 9.33944 8.0166 9.8603 5.70161 6.22805 14.6665 12.2471 6.96396 7.10621 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 9.33944 9.32945 9.8603 4.57188 6.22805 14.6665 10.2729 6.96396 7.10621 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.84857 7.62195 8.41173 9.67996 6.3027 6.22892 11.7608 13.8674 7.15287 8.41585 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 9.42142 5.06934 7.66311 8.13983 7.00835 8.91266 5.63648 8.39221 4.15151 6.38364 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 9.56648 10.143 7.88676 12.9591 6.53177 7.46752 5.48395 5.84479 5.66097 7.63133 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 9.56648 10.143 7.88676 12.9591 6.53177 7.46752 10.1011 8.67719 6.06561 5.46498 numMergedOcc 0
6 mol 16 unq 2 iso 0 dist 9.56648 10.143 7.88676 12.9591 6.53177 7.46752 14.8742 13.4596 8.02077 8.71745 numMergedOcc 0
7 mol 51 unq 0 iso 0 dist 6.50216 10.8401 7.95419 7.12423 5.27155 9.06397 13.6102 13.9156 12.8917 9.0709 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.58346 7.53682 5.39171 9.43662 8.04817 4.24428 13.3852 11.905 6.58444 5.93252 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 5.58346 7.53682 5.39171 6.18305 5.2774 6.30194 4.69583 6.89722 10.5627 6.19304 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 9.10386 7.53682 9.27355 9.43662 9.76331 4.24428 13.3852 14.8258 6.58444 5.93252 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 9.10386 7.53682 9.27355 6.18305 5.44275 6.30194 4.69583 7.26679 10.5627 6.19304 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 9.66744 14.7261 5.39171 17.4326 8.04817 4.24428 21.2882 11.905 6.58444 5.93252 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 9.66744 14.7261 5.39171 12.9661 5.2774 6.30194 8.59095 6.89722 10.5627 6.19304 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 8.52125 13.5152 6.60356 22.5199 14.3495 9.57498 18.734 11.5472 6.89762 6.45675 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.91921 6.12122 6.74214 6.2365 6.62361 7.98022 4.7157 9.31417 6.3873 5.72887 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 8.20243 6.12122 5.33462 6.2365 5.96552 7.98022 4.7157 5.56719 6.3873 5.72887 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 8.15897 6.70277 9.174 9.18476 4.86437 6.40592 9.87799 9.72526 7.93809 7.4631 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 7.03809 9.0218 9.58767 14.2283 11.4733 8.07341 22.8685 19.9111 16.581 9.02271 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.98006 5.73217 6.76656 8.06771 5.71237 6.96379 6.64729 6.77279 10.908 8.13497 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 5.98006 5.73217 6.76656 8.06771 5.71237 6.96379 9.79538 9.58006 12.7595 7.88519 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 8.22353 8.39994 9.56472 11.5176 15.4199 7.54805 10.9661 15.5946 12.5953 8.4218 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 9.71653 6.05412 8.57035 7.74162 6.03718 5.17586 9.5773 14.3672 5.9229 9.70696 numMergedOcc 0
