0 mol 26 unq 0 iso 0 dist 8.06656 6.84751 4.39827 13.0316 6.74848 9.82888 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 5.82247 8.59794 10.2588 9.855 6.55815 12.422 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 5.82247 8.59794 10.2588 10.8051 7.09121 16.8077 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 7.28907 9.16278 4.60505 7.06531 6.55815 6.00377 numMergedOcc 0
4 mol 30 unq 3 iso 0 dist 7.28907 9.16278 4.60505 9.46128 7.09121 9.94241 numMergedOcc 0
5 mol 30 unq 4 iso 0 dist 8.64725 9.67564 4.60505 10.2236 6.55815 6.00377 numMergedOcc 0
6 mol 30 unq 5 iso 0 dist 8.64725 9.67564 4.60505 7.32943 7.09121 9.94241 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 9.10096 9.80869 9.20886 3.98831 6.99108 9.54323 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 8.98939 8.26586 6.0309 4.35705 6.62229 7.58739 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 8.98939 9.76234 11.5843 4.35705 6.62229 9.01564 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 8.64047 6.24296 12.7386 4.32784 8.70863 5.05893 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 8.64047 6.83218 14.1999 4.32784 8.70863 5.71866 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.70095 8.29463 12.068 6.8344 9.5669 14.2997 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 6.97579 4.54218 5.25982 4.37003 4.46777 5.92302 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 6.97579 4.54218 5.25982 4.34943 6.94988 5.29898 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.18314 7.81696 11.924 9.9497 4.5271 14.7428 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 9.18314 7.81696 11.924 10.094 7.02575 15.7057 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 7.84953 5.4767 13.0451 5.95332 8.3087 10.4198 numMergedOcc 0
18 mol 218 unq 1 iso 0 dist 4.57726 5.4767 3.85314 5.95332 9.32945 10.4198 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 7.10883 7.9002 6.35462 5.32385 8.20162 11.432 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 6.39295 8.22129 10.0046 5.08932 7.38566 11.3732 numMergedOcc 0
21 mol 232 unq 1 iso 0 dist 6.39295 8.22129 10.0046 5.79979 8.28466 6.59036 numMergedOcc 0
