0 mol 8 unq 0 iso 0 dist 5.89089 4.16129 5.68648 8.10061 6.56356 7.38068 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.16274 5.75573 6.60595 5.46344 8.85174 4.64441 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 4.82342 4.50998 9.30722 6.15452 9.19165 6.31143 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.74289 8.78462 7.89424 5.37144 7.39665 3.89663 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 7.09258 11.4333 8.4143 7.54321 6.21799 6.53445 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 7.09258 11.4333 8.4143 5.2819 5.03251 6.27856 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 7.09258 11.4333 8.4143 3.53164 7.66093 11.2873 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 7.24378 8.5862 8.77218 8.52286 9.85905 14.6511 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 5.17291 5.8454 5.91259 8.27493 9.13322 4.2488 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 8.81569 11.8659 5.91259 12.0737 9.13322 4.2488 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 6.5136 6.17996 9.64673 5.9335 9.3948 10.6733 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 6.5136 6.17996 9.64673 9.88003 9.74607 15.954 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 6.1421 11.2993 8.00624 5.75588 5.51197 6.31483 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 6.1421 11.2993 8.00624 3.82645 6.69691 9.82512 numMergedOcc 0
14 mol 129 unq 2 iso 0 dist 6.1421 11.2993 8.00624 4.18263 8.86944 14.6258 numMergedOcc 0
15 mol 129 unq 3 iso 0 dist 9.54663 12.8233 8.00624 11.0564 5.51197 6.31483 numMergedOcc 0
16 mol 129 unq 4 iso 0 dist 9.54663 12.8233 8.00624 5.71616 6.69691 9.82512 numMergedOcc 0
17 mol 129 unq 5 iso 0 dist 9.54663 12.8233 8.00624 7.22602 8.86944 14.6258 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 7.18765 5.71227 8.67786 4.26432 9.10817 6.57766 numMergedOcc 0
19 mol 197 unq 1 iso 0 dist 7.18765 5.71227 8.67786 14.0652 9.73548 12.3362 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 9.65951 17.5501 9.44947 4.51957 7.9133 14.13 numMergedOcc 0
21 mol 204 unq 1 iso 0 dist 9.14829 16.4106 9.44947 9.9552 7.9133 14.13 numMergedOcc 0
22 mol 211 unq 0 iso 0 dist 7.66285 4.83833 7.3748 4.80633 6.28595 4.68221 numMergedOcc 0
23 mol 211 unq 1 iso 0 dist 7.66285 8.77878 8.323 4.80633 6.28595 4.09875 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 9.33638 11.3112 9.92165 10.2403 7.46481 14.5969 numMergedOcc 0
25 mol 233 unq 0 iso 0 dist 4.94074 4.67806 7.41931 7.83075 8.51625 8.98854 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 6.67907 11.1044 9.44496 7.15922 8.23087 10.7395 numMergedOcc 0
27 mol 241 unq 0 iso 0 dist 5.40961 11.461 7.73213 4.61243 7.95042 10.7255 numMergedOcc 0
28 mol 241 unq 1 iso 0 dist 8.74174 14.3843 7.73213 5.82647 7.95042 10.7255 numMergedOcc 0
29 mol 241 unq 2 iso 0 dist 5.57621 4.84723 7.73213 6.31237 7.95042 10.7255 numMergedOcc 0
30 mol 241 unq 3 iso 0 dist 8.28853 5.02161 7.73213 9.3302 7.95042 10.7255 numMergedOcc 0
31 mol 241 unq 4 iso 0 dist 8.71739 9.9688 7.73213 11.4584 7.95042 10.7255 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 6.86014 4.00063 4.81916 11.4058 9.35539 9.31926 numMergedOcc 0
33 mol 277 unq 1 iso 0 dist 6.86014 4.00063 4.81916 14.6762 8.9682 13.1828 numMergedOcc 0
34 mol 277 unq 2 iso 0 dist 6.86014 4.00063 4.81916 11.68 6.92711 10.6994 numMergedOcc 0
35 mol 277 unq 3 iso 0 dist 5.97073 9.31316 4.81916 6.9003 9.35539 9.31926 numMergedOcc 0
36 mol 277 unq 4 iso 0 dist 5.97073 9.31316 4.81916 11.3103 8.9682 13.1828 numMergedOcc 0
37 mol 277 unq 5 iso 0 dist 5.97073 9.31316 4.81916 10.5734 6.92711 10.6994 numMergedOcc 0
38 mol 277 unq 6 iso 0 dist 6.49176 11.2565 4.81916 11.7592 9.35539 9.31926 numMergedOcc 0
39 mol 277 unq 7 iso 0 dist 6.49176 11.2565 4.81916 6.40883 8.9682 13.1828 numMergedOcc 0
40 mol 277 unq 8 iso 0 dist 6.49176 11.2565 4.81916 6.79352 6.92711 10.6994 numMergedOcc 0
