0 mol 18 unq 0 iso 0 dist 4.70023 5.79003 6.09533 8.40161 3.91445 9.46349 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.53312 6.95803 8.76224 6.62508 7.77448 9.2146 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 5.9948 4.3475 8.76224 9.77719 7.77448 9.2146 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 4.85282 4.85685 6.35779 5.6359 5.46563 9.19512 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 6.49446 5.4275 7.25138 5.48283 5.56988 7.16844 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 5.77675 5.88789 8.4702 5.35145 3.77705 5.88409 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.0101 6.27527 6.46582 14.8387 11.3491 9.57759 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 8.80094 3.6038 8.47543 8.65328 6.97182 8.26768 numMergedOcc 0
8 mol 168 unq 1 iso 0 dist 8.07126 4.88037 8.47543 10.9318 6.97182 8.26768 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 6.57161 6.55092 7.33643 12.8825 14.6592 9.06172 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 6.57161 6.55092 7.33643 11.5827 14.9735 8.93091 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 5.39622 6.14958 6.99587 5.09756 3.6848 9.17458 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 5.39622 6.14958 6.99587 7.44523 5.33968 6.94594 numMergedOcc 0
13 mol 186 unq 2 iso 0 dist 5.39622 5.87342 4.37577 5.09756 3.6848 7.36794 numMergedOcc 0
14 mol 186 unq 3 iso 0 dist 5.39622 5.87342 4.37577 7.44523 5.33968 5.81881 numMergedOcc 0
15 mol 186 unq 4 iso 0 dist 9.75853 4.32488 7.69952 10.2573 6.21273 8.17928 numMergedOcc 0
16 mol 186 unq 5 iso 0 dist 9.37765 3.98361 9.14525 10.0576 5.22626 8.92135 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 6.17749 4.73685 4.90656 10.8651 4.91709 8.88902 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 9.6748 6.56644 6.46793 7.42359 6.76489 9.53137 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 4.76689 5.30931 7.88108 10.7533 9.0549 8.51564 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 4.76689 7.91474 9.46576 15.7202 17.1277 9.73217 numMergedOcc 0
21 mol 260 unq 2 iso 0 dist 4.76689 7.91474 9.46576 6.54521 6.73886 7.49606 numMergedOcc 0
22 mol 260 unq 3 iso 0 dist 4.76689 7.91474 9.46576 11.1285 11.1586 8.06377 numMergedOcc 0
23 mol 260 unq 4 iso 0 dist 8.79012 8.90225 7.88108 7.97307 9.0549 8.51564 numMergedOcc 0
24 mol 260 unq 5 iso 0 dist 8.79012 4.38276 9.46576 8.52702 17.1277 9.73217 numMergedOcc 0
25 mol 260 unq 6 iso 0 dist 8.79012 4.38276 9.46576 9.85302 6.73886 7.49606 numMergedOcc 0
26 mol 260 unq 7 iso 0 dist 8.79012 4.38276 9.46576 11.1504 11.1586 8.06377 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 9.477 4.58167 7.93375 6.61768 7.54309 8.20376 numMergedOcc 0
