0 mol 7 unq 0 iso 0 dist 6.28925 9.87885 5.35168 13.2247 8.70159 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.70159 6.1206 5.35168 13.2247 6.28925 9.87885 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 7.89702 6.56356 5.74008 10.9495 12.3112 9.01112 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 7.89702 6.56356 5.74008 8.09332 12.5002 7.62333 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 5.61656 6.07517 8.74649 5.34368 6.95343 6.74179 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 7.22242 6.07517 10.9847 5.34368 11.0669 6.74179 numMergedOcc 0
6 mol 30 unq 2 iso 0 dist 6.95343 6.74179 8.74649 5.34368 5.61656 6.07517 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 7.13406 9.69044 9.55794 8.62608 13.0088 6.9103 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 8.96978 7.12321 6.82436 5.36766 11.9307 9.74228 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 8.96978 7.12321 6.82436 8.24309 11.4456 6.21799 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.33919 9.73086 10.4668 5.4148 9.79143 7.4369 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 9.79143 7.4369 10.4668 5.4148 9.33919 9.73086 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 6.43377 5.5087 4.25755 8.07446 9.83298 5.61588 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 6.43377 6.08682 6.08046 8.07446 9.83298 7.83244 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 9.30559 7.51139 9.68157 12.1547 9.87388 7.80898 numMergedOcc 0
15 mol 88 unq 1 iso 0 dist 6.066 7.80898 6.29943 12.1547 10.0313 7.51139 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 4.5985 9.21662 8.59989 10.8375 12.5743 8.91882 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 9.70093 8.95212 10.9729 10.9871 11.3244 6.99446 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 9.70093 8.95212 10.9729 9.93257 6.69217 7.64052 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 6.69217 7.64052 10.9729 9.93257 9.70093 8.95212 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 6.69217 7.64052 10.9729 4.85907 11.3244 6.99446 numMergedOcc 0
21 mol 132 unq 0 iso 0 dist 7.19937 6.89918 3.92897 4.35917 10.0208 7.89457 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 6.50009 9.10524 4.20094 14.069 12.2509 9.00918 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 6.50009 6.42772 5.40695 11.6064 12.8066 9.1998 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 6.50009 6.42772 5.40695 13.7309 11.2661 8.70621 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 8.65986 9.00918 15.3248 14.069 21.0114 9.10524 numMergedOcc 0
26 mol 134 unq 4 iso 0 dist 8.65986 7.99477 15.8799 6.90348 15.1156 5.35237 numMergedOcc 0
27 mol 170 unq 0 iso 0 dist 6.36868 9.08274 5.40635 8.56034 10.4619 9.51256 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 8.47008 9.01624 8.25265 11.5866 13.0425 5.05973 numMergedOcc 0
29 mol 219 unq 0 iso 0 dist 5.40597 4.33238 4.27314 7.02195 7.66784 7.83604 numMergedOcc 0
30 mol 219 unq 1 iso 0 dist 7.66784 7.83604 4.27314 7.02195 5.40597 4.33238 numMergedOcc 0
31 mol 225 unq 0 iso 0 dist 9.31373 8.1945 5.95485 13.3965 9.88976 6.50998 numMergedOcc 0
32 mol 225 unq 1 iso 0 dist 9.88976 6.50998 5.95485 13.3965 9.31373 8.1945 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 6.35438 7.81215 4.76962 10.2693 9.57132 5.64285 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 9.07916 5.64285 5.43679 10.2693 12.2772 7.81215 numMergedOcc 0
35 mol 234 unq 2 iso 0 dist 9.57132 5.64285 4.76962 10.2693 6.35438 7.81215 numMergedOcc 0
36 mol 235 unq 0 iso 0 dist 7.48753 8.19317 5.67913 7.218 9.22081 5.1823 numMergedOcc 0
37 mol 235 unq 1 iso 0 dist 7.48753 6.29377 4.80217 7.218 9.22081 5.70635 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 5.45139 6.73665 7.77371 11.347 15.6017 9.34438 numMergedOcc 0
39 mol 239 unq 1 iso 0 dist 5.45139 6.73665 7.77371 7.97994 11.2051 9.35949 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 7.64122 7.66153 11.464 4.69778 11.9769 9.07743 numMergedOcc 0
41 mol 264 unq 0 iso 0 dist 8.29556 5.90924 4.46882 7.07277 8.47755 5.90058 numMergedOcc 0
42 mol 264 unq 1 iso 0 dist 8.29556 5.90924 4.46882 8.96144 11.3076 9.58916 numMergedOcc 0
43 mol 264 unq 2 iso 0 dist 8.47755 5.90058 4.46882 7.07277 8.29556 5.90924 numMergedOcc 0
44 mol 264 unq 3 iso 0 dist 8.47755 5.90058 4.46882 14.3597 11.3076 9.58916 numMergedOcc 0
