0 mol 76 unq 0 iso 0 dist 5.25083 7.28582 9.42735 8.23534 7.88113 6.66954 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 5.25083 8.88157 9.98078 9.2958 4.80291 9.75201 numMergedOcc 0
2 mol 76 unq 2 iso 0 dist 8.7835 10.3858 9.42735 11.1977 7.88113 6.66954 numMergedOcc 0
3 mol 76 unq 3 iso 0 dist 8.7835 12.3527 9.98078 13.2992 4.80291 9.75201 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 7.16429 7.42347 6.07337 9.52901 5.97632 6.03429 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 9.27407 3.74136 5.89661 7.29701 8.64726 7.62611 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 6.56066 3.90578 6.07991 10.5407 14.3305 9.35942 numMergedOcc 0
7 mol 126 unq 0 iso 0 dist 9.61698 16.3823 9.31118 14.5503 5.23583 5.94233 numMergedOcc 0
8 mol 126 unq 1 iso 0 dist 9.61698 16.3823 9.31118 20.1387 11.0459 8.56219 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 7.50959 4.91324 7.67321 13.7244 15.6039 9.13191 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 7.50959 4.91324 7.67321 8.65287 8.90781 6.95405 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 7.2409 7.70253 7.94147 9.70579 5.93581 7.25644 numMergedOcc 0
12 mol 153 unq 0 iso 0 dist 9.47241 7.67891 6.11959 12.3587 4.58695 7.3061 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.99149 4.41466 6.86144 5.87853 5.71112 7.11785 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.41494 12.1694 5.31166 15.1522 9.11826 7.46987 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 9.4945 5.16567 9.06496 11.2514 10.0166 7.85414 numMergedOcc 0
16 mol 278 unq 0 iso 0 dist 7.99979 10.723 9.67619 12.2986 7.41736 7.21972 numMergedOcc 0
17 mol 278 unq 1 iso 0 dist 8.0742 10.4329 9.67619 8.91606 7.41736 7.21972 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 5.90003 4.81143 7.84195 13.6311 13.3542 9.30921 numMergedOcc 0
