0 mol 20 unq 0 iso 0 dist 9.78431 7.58687 4.36087 13.6114 5.6647 8.93826 11.539 3.21365 7.47395 5.39275 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.78431 7.58687 4.36087 10.0209 4.76485 7.17695 11.539 3.21365 7.47395 5.17224 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 6.62508 6.95803 9.2146 6.53312 7.77448 8.76224 11.8984 16.4255 8.53424 11.7233 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 6.62508 6.95803 9.2146 6.53312 7.77448 8.76224 12.2067 16.0765 7.08766 13.0183 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 6.62508 6.95803 9.2146 6.53312 7.77448 8.76224 10.7835 13.6412 4.82199 10.9699 numMergedOcc 0
5 mol 28 unq 3 iso 0 dist 9.77719 4.3475 9.2146 5.9948 7.77448 8.76224 6.76158 16.4255 8.53424 11.7233 numMergedOcc 0
6 mol 28 unq 4 iso 0 dist 9.77719 4.3475 9.2146 5.9948 7.77448 8.76224 7.423 16.0765 7.08766 13.0183 numMergedOcc 0
7 mol 28 unq 5 iso 0 dist 9.77719 4.3475 9.2146 5.9948 7.77448 8.76224 5.89257 13.6412 4.82199 10.9699 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 5.48283 5.4275 7.16844 6.49446 5.56988 7.25138 6.0827 3.73834 4.46067 6.13411 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 8.76815 11.2448 8.19932 10.7546 6.56256 5.57551 15.725 7.98805 7.7485 7.27578 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 6.53198 5.23075 4.30875 12.2185 7.09333 9.86767 10.0487 3.52445 7.02358 5.96967 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 8.65328 4.18108 7.0961 10.4499 9.43003 6.48066 9.57924 6.06538 5.86767 3.56227 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 8.65328 4.18108 7.0961 10.4499 9.43003 6.48066 8.47439 10.919 5.28353 3.96437 numMergedOcc 0
13 mol 168 unq 2 iso 0 dist 5.69346 4.18108 6.53038 10.4499 9.98239 6.48066 9.57924 10.7133 5.86767 3.56227 numMergedOcc 0
14 mol 168 unq 3 iso 0 dist 5.69346 4.18108 6.53038 10.4499 9.98239 6.48066 8.47439 6.65321 5.28353 3.96437 numMergedOcc 0
15 mol 168 unq 4 iso 0 dist 8.55388 8.29185 6.53038 14.6329 9.98239 6.48066 13.4052 10.7133 5.86767 3.56227 numMergedOcc 0
16 mol 168 unq 5 iso 0 dist 8.55388 8.29185 6.53038 14.6329 9.98239 6.48066 12.6546 6.65321 5.28353 3.96437 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 6.4644 5.05368 4.11374 11.7706 7.0638 9.58901 10.0553 3.59996 6.96715 5.74428 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 5.87263 6.5732 7.65903 9.10097 6.22697 7.50458 6.18165 3.18152 5.10589 4.24401 numMergedOcc 0
19 mol 169 unq 2 iso 0 dist 5.87263 4.14139 5.97653 9.10097 6.22697 5.79554 6.18165 3.18152 4.63336 4.24401 numMergedOcc 0
20 mol 169 unq 3 iso 0 dist 5.87263 7.73206 7.75523 9.10097 6.22697 4.22003 6.18165 3.18152 6.10715 4.24401 numMergedOcc 0
21 mol 243 unq 0 iso 0 dist 7.42359 6.56644 9.53137 9.6748 6.76489 6.46793 8.35328 7.66826 4.55853 3.79865 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 6.54521 7.91474 7.49606 4.76689 6.73886 9.46576 7.22473 7.35802 8.62655 3.48905 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 7.97307 8.90225 8.51564 8.79012 9.0549 7.88108 10.5948 8.22506 7.04263 3.43711 numMergedOcc 0
24 mol 260 unq 2 iso 0 dist 7.97307 8.90225 8.51564 8.79012 9.0549 7.88108 5.33278 3.68866 6.48099 8.84611 numMergedOcc 0
25 mol 260 unq 3 iso 0 dist 8.52702 4.38276 9.73217 8.79012 17.1277 9.46576 7.13397 15.6308 8.62655 3.48905 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 6.61768 4.58167 8.20376 11.9892 10.858 9.35293 6.9943 3.68488 6.96692 7.2339 numMergedOcc 0
27 mol 266 unq 1 iso 0 dist 6.61768 4.58167 8.20376 11.9892 10.858 9.35293 7.36685 3.14784 8.25286 12.15 numMergedOcc 0
28 mol 266 unq 2 iso 0 dist 6.61768 4.58167 8.20376 11.9892 10.858 9.35293 9.03099 5.95721 9.9965 14.8334 numMergedOcc 0
29 mol 266 unq 3 iso 0 dist 6.61768 4.58167 8.20376 9.477 7.54309 7.93375 6.9943 3.68488 6.96692 3.87565 numMergedOcc 0
30 mol 266 unq 4 iso 0 dist 6.61768 4.58167 8.20376 9.477 7.54309 7.93375 7.36685 3.14784 8.25286 9.25882 numMergedOcc 0
31 mol 266 unq 5 iso 0 dist 6.61768 4.58167 8.20376 9.477 7.54309 7.93375 9.03099 5.95721 9.9965 12.1357 numMergedOcc 0
