0 mol 26 unq 0 iso 0 dist 7.39066 15.9289 9.41425 13.3429 6.33493 8.44506 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.72346 11.8036 9.82307 12.0618 9.80379 8.44903 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.45173 9.77201 9.82307 14.4841 9.80379 8.44903 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 8.86253 10.7892 7.34145 17.3937 12.0751 9.31969 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 8.86253 10.7892 7.34145 13.5161 6.93285 6.54023 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.37507 8.53005 7.7346 12.2195 5.94724 6.49956 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.85675 4.89837 9.67274 12.4099 10.8085 8.67766 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 8.85675 4.89837 9.67274 11.8462 10.1337 8.0831 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 8.83567 11.1422 9.34689 12.6172 6.35793 6.78038 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 8.83567 11.1422 9.34689 7.85583 4.69658 6.47042 numMergedOcc 0
10 mol 112 unq 2 iso 0 dist 6.79584 13.5573 9.34689 12.679 6.35793 6.78038 numMergedOcc 0
11 mol 112 unq 3 iso 0 dist 6.79584 13.5573 9.34689 8.86938 4.69658 6.47042 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 8.08259 7.66951 5.22104 9.55307 3.79489 5.38091 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 7.37255 14.2989 8.06621 13.5319 6.60451 7.88319 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 8.24035 8.17791 9.12454 13.4219 8.36988 8.77887 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.86574 10.0766 6.08596 9.52413 4.04122 6.258 numMergedOcc 0
16 mol 188 unq 0 iso 0 dist 9.81333 9.09717 6.18257 10.4357 8.02684 8.57261 numMergedOcc 0
