0 mol 20 unq 0 iso 0 dist 9.78431 7.58687 4.36087 13.6114 5.6647 8.93826 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.78431 7.58687 4.36087 10.0209 4.76485 7.17695 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.78431 5.14626 7.09639 10.0209 4.76485 9.33207 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 6.62508 6.95803 9.2146 6.53312 7.77448 8.76224 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 9.77719 4.3475 9.2146 5.9948 7.77448 8.76224 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 5.48283 5.4275 7.16844 6.49446 5.56988 7.25138 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 5.6359 4.85685 9.19512 4.85282 5.46563 6.35779 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 5.35145 5.88789 5.88409 5.77675 3.77705 8.4702 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 8.76815 11.2448 8.19932 10.7546 6.56256 5.57551 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 6.53198 5.23075 4.30875 12.2185 7.09333 9.86767 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 8.65328 4.18108 7.0961 10.4499 9.43003 6.48066 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 8.65328 3.6038 8.26768 8.80094 6.97182 8.47543 numMergedOcc 0
12 mol 168 unq 2 iso 0 dist 5.69346 4.18108 6.53038 10.4499 9.98239 6.48066 numMergedOcc 0
13 mol 168 unq 3 iso 0 dist 8.55388 8.29185 6.53038 14.6329 9.98239 6.48066 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 6.4644 5.05368 4.11374 11.7706 7.0638 9.58901 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 5.87263 6.5732 7.65903 9.10097 6.22697 7.50458 numMergedOcc 0
16 mol 169 unq 2 iso 0 dist 5.87263 4.14139 5.97653 9.10097 6.22697 5.79554 numMergedOcc 0
17 mol 169 unq 3 iso 0 dist 5.87263 7.73206 7.75523 9.10097 6.22697 4.22003 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 5.09756 6.14958 9.17458 5.39622 3.6848 6.99587 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 5.09756 5.87342 7.36794 5.39622 3.6848 4.37577 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 7.44523 6.14958 6.94594 5.39622 5.33968 6.99587 numMergedOcc 0
21 mol 186 unq 3 iso 0 dist 7.44523 5.87342 5.81881 5.39622 5.33968 4.37577 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 6.3407 12.1876 7.68686 12.2388 6.10058 8.93485 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 6.3407 12.1876 7.68686 9.67866 3.50446 5.66636 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 7.79613 13.8153 8.88902 11.8673 4.91709 4.90656 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 7.42359 6.56644 9.53137 9.6748 6.76489 6.46793 numMergedOcc 0
26 mol 260 unq 0 iso 0 dist 6.54521 7.91474 7.49606 4.76689 6.73886 9.46576 numMergedOcc 0
27 mol 260 unq 1 iso 0 dist 7.97307 8.90225 8.51564 8.79012 9.0549 7.88108 numMergedOcc 0
28 mol 260 unq 2 iso 0 dist 8.52702 4.38276 9.73217 8.79012 17.1277 9.46576 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 6.61768 4.58167 8.20376 11.9892 10.858 9.35293 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 6.61768 4.58167 8.20376 9.477 7.54309 7.93375 numMergedOcc 0
