0 mol 28 unq 0 iso 0 dist 5.9948 6.76158 11.7233 4.3475 8.76224 8.53424 9.77719 7.77448 16.4255 9.2146 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.9948 7.423 13.0183 4.3475 8.76224 7.08766 9.77719 7.77448 16.0765 9.2146 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.9948 5.89257 10.9699 4.3475 8.76224 4.82199 9.77719 7.77448 13.6412 9.2146 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.49446 6.0827 6.13411 5.4275 7.25138 4.46067 5.48283 5.56988 3.73834 7.16844 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.0101 8.26805 9.68005 6.27527 6.46582 7.66068 14.8387 11.3491 9.50354 9.57759 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 9.0101 9.68577 14.6547 6.27527 6.46582 9.5043 14.8387 11.3491 12.0331 9.57759 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.91055 7.30934 7.8463 4.3421 10.6901 5.24346 7.15918 5.82228 5.4118 7.62463 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 6.28645 9.00481 7.1034 9.83939 11.0815 5.31126 15.6211 14.7343 9.59189 8.67025 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 6.28645 9.00481 7.1034 9.2752 11.8871 7.16619 18.7543 20.3225 13.8379 9.60127 numMergedOcc 0
9 mol 168 unq 0 iso 0 dist 8.80094 8.47439 15.207 4.18108 10.4746 5.28353 8.65328 6.97182 10.919 7.0961 numMergedOcc 0
10 mol 168 unq 1 iso 0 dist 8.80094 8.47439 15.207 4.18108 10.4746 5.28353 11.2284 18.1897 6.91388 8.21227 numMergedOcc 0
11 mol 168 unq 2 iso 0 dist 8.80094 8.47439 15.207 4.18108 10.4746 5.28353 5.69346 13.358 6.65321 6.53038 numMergedOcc 0
12 mol 168 unq 3 iso 0 dist 9.03681 8.47439 10.3454 4.18108 10.6876 5.28353 8.65328 16.9458 10.919 7.0961 numMergedOcc 0
13 mol 168 unq 4 iso 0 dist 9.03681 8.47439 10.3454 4.18108 10.6876 5.28353 11.2284 13.4574 6.91388 8.21227 numMergedOcc 0
14 mol 168 unq 5 iso 0 dist 9.03681 8.47439 10.3454 4.18108 10.6876 5.28353 5.69346 4.92763 6.65321 6.53038 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 6.57161 9.3206 7.16323 9.93901 10.9108 5.10589 16.199 14.8524 9.60496 8.6961 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.75853 7.82717 3.42324 4.32488 7.69952 4.87942 10.2573 6.21273 4.79079 8.17928 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 9.75853 8.19926 8.26669 4.32488 7.69952 7.25595 10.2573 6.21273 3.60793 8.17928 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 9.6748 8.35328 3.79865 6.56644 6.46793 4.55853 7.42359 6.76489 7.66826 9.53137 numMergedOcc 0
19 mol 243 unq 1 iso 0 dist 8.71177 8.35328 8.58943 6.56644 11.1891 4.55853 7.42359 3.72181 7.66826 9.53137 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 4.76689 7.22473 3.48905 7.91474 9.46576 8.62655 15.7202 17.1277 15.6308 9.73217 numMergedOcc 0
21 mol 260 unq 1 iso 0 dist 4.76689 7.22473 3.48905 7.91474 9.46576 8.62655 6.54521 6.73886 7.35802 7.49606 numMergedOcc 0
22 mol 260 unq 2 iso 0 dist 4.76689 7.22473 3.48905 7.91474 9.46576 8.62655 11.1285 11.1586 10.4054 8.06377 numMergedOcc 0
23 mol 260 unq 3 iso 0 dist 4.76689 6.02628 3.43711 5.30931 7.88108 7.04263 10.7533 9.0549 8.22506 8.51564 numMergedOcc 0
24 mol 260 unq 4 iso 0 dist 7.26455 7.22473 7.46252 7.91474 11.9193 8.62655 15.7202 21.0447 15.6308 9.73217 numMergedOcc 0
25 mol 260 unq 5 iso 0 dist 7.26455 7.22473 7.46252 7.91474 11.9193 8.62655 6.54521 5.38205 7.35802 7.49606 numMergedOcc 0
26 mol 260 unq 6 iso 0 dist 7.26455 7.22473 7.46252 7.91474 11.9193 8.62655 11.1285 9.84384 10.4054 8.06377 numMergedOcc 0
27 mol 260 unq 7 iso 0 dist 7.26455 6.02628 7.63469 5.30931 12.0301 7.04263 10.7533 14.458 8.22506 8.51564 numMergedOcc 0
28 mol 260 unq 8 iso 0 dist 8.79012 7.13397 3.48905 4.38276 9.46576 8.62655 8.52702 17.1277 15.6308 9.73217 numMergedOcc 0
29 mol 260 unq 9 iso 0 dist 8.79012 7.13397 3.48905 4.38276 9.46576 8.62655 9.85302 6.73886 7.35802 7.49606 numMergedOcc 0
30 mol 260 unq 10 iso 0 dist 8.79012 7.13397 3.48905 4.38276 9.46576 8.62655 11.1504 11.1586 10.4054 8.06377 numMergedOcc 0
31 mol 260 unq 11 iso 0 dist 8.79012 5.33278 8.84611 8.90225 7.88108 6.48099 7.97307 9.0549 3.68866 8.51564 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 9.477 6.9943 3.87565 4.58167 7.93375 6.96692 6.61768 7.54309 3.68488 8.20376 numMergedOcc 0
33 mol 266 unq 1 iso 0 dist 9.477 7.36685 9.25882 7.98379 14.6863 7.8598 6.61768 7.54309 3.14784 7.72861 numMergedOcc 0
34 mol 266 unq 2 iso 0 dist 9.477 7.36685 9.25882 4.58167 7.93375 8.25286 6.61768 7.54309 3.14784 8.20376 numMergedOcc 0
35 mol 266 unq 3 iso 0 dist 9.477 9.03099 12.1357 7.98379 14.6863 7.80711 6.61768 7.54309 5.95721 7.72861 numMergedOcc 0
36 mol 266 unq 4 iso 0 dist 9.477 9.03099 12.1357 4.58167 7.93375 9.9965 6.61768 7.54309 5.95721 8.20376 numMergedOcc 0
