0 mol 11 unq 0 iso 0 dist 5.87616 4.37231 5.7435 6.29106 4.08268 4.30695 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.87616 4.37231 5.7435 7.05626 4.24301 6.35398 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.26381 6.74726 8.88413 13.8164 10.7087 7.55264 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.26381 5.18181 7.63928 11.7955 9.78075 6.85556 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 9.16551 5.68567 7.78905 14.2438 9.64095 9.6782 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.35101 7.71984 6.36193 8.80308 4.37642 5.93884 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 5.35101 4.67517 4.88613 8.80308 4.37642 7.68678 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 8.68381 12.5529 6.36193 12.8283 4.37642 5.93884 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 8.68381 8.47822 4.88613 12.8283 4.37642 7.68678 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 8.65313 8.19638 9.22002 10.2725 12.7481 9.25641 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 7.17678 9.69519 9.8809 13.43 7.30649 9.97775 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 9.16344 7.32041 8.35636 8.70427 9.74143 7.02927 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 9.16344 7.32041 8.35636 13.4253 9.51381 6.60933 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.86691 4.32516 9.3894 10.4378 11.5759 6.66772 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 5.7232 8.76089 9.50322 13.7203 16.7326 9.22232 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 5.7232 8.76089 9.50322 12.3907 10.2948 9.22661 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 5.7232 8.76089 9.50322 14.2267 11.6924 7.56378 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 5.08796 10.9813 9.84952 9.0234 6.78739 5.94469 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 8.78916 8.07956 8.79558 14.4961 11.4857 6.86319 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 7.38022 6.75711 8.5119 8.88206 4.87337 6.1951 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 9.61454 9.77128 7.08539 16.9159 13.0408 9.55668 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 5.92025 5.6375 7.89744 7.87572 5.55311 7.1686 numMergedOcc 0
22 mol 236 unq 1 iso 0 dist 9.04819 5.6375 8.6417 7.87572 4.28296 7.1686 numMergedOcc 0
23 mol 241 unq 0 iso 0 dist 7.79013 10.2076 9.10633 10.0781 4.85571 7.89524 numMergedOcc 0
24 mol 241 unq 1 iso 0 dist 9.33399 10.1832 9.10633 12.258 4.85571 7.89524 numMergedOcc 0
25 mol 244 unq 0 iso 0 dist 7.00974 9.23493 7.65388 9.96572 4.38246 5.50492 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 8.93002 5.56656 8.06771 10.7258 5.61261 7.98231 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 9.83854 15.3375 7.04833 19.1869 10.7881 6.71375 numMergedOcc 0
28 mol 271 unq 0 iso 0 dist 8.74168 4.75339 9.56149 6.70662 6.15348 9.70714 numMergedOcc 0
