0 mol 48 unq 0 iso 0 dist 7.55854 7.49678 9.90363 12.2035 7.52915 16.8496 numMergedOcc 0
1 mol 88 unq 0 iso 0 dist 9.79535 9.75856 5.53481 11.3237 6.26491 8.30943 numMergedOcc 0
2 mol 88 unq 1 iso 0 dist 7.33521 9.75856 14.384 5.35193 5.4421 14.5281 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 8.91055 8.60438 4.59148 6.81831 9.56911 10.6625 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 6.14782 9.74889 10.1149 10.5613 8.18252 10.848 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 8.49806 9.74889 4.34199 10.5613 7.55531 10.848 numMergedOcc 0
6 mol 99 unq 0 iso 0 dist 5.64099 8.35131 7.49333 5.91888 7.09617 13.2721 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 6.4822 8.04823 3.56357 7.41517 8.53875 10.1869 numMergedOcc 0
8 mol 168 unq 0 iso 0 dist 8.80094 8.66519 16.2482 11.4575 8.35869 14.5312 numMergedOcc 0
9 mol 168 unq 1 iso 0 dist 8.07126 8.35731 16.2482 7.61088 8.35869 14.5312 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 8.91036 4.85278 4.52935 9.62833 9.9855 10.2019 numMergedOcc 0
11 mol 173 unq 1 iso 0 dist 8.85548 7.71773 7.46995 6.09753 4.93595 6.03275 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 8.65601 5.314 9.74229 13.9919 9.26812 13.404 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 5.78414 5.314 6.04558 9.57014 9.19555 12.3901 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 8.17234 5.95601 5.17118 15.8841 9.33775 14.0308 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 7.45786 8.4319 12.8324 11.9127 9.87224 19.3753 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 9.44043 9.27225 9.26732 6.69333 5.53473 11.3862 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 8.79012 5.16772 13.9264 12.4464 6.23198 17.3825 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 8.40448 9.72665 12.8228 12.5049 7.67032 19.6837 numMergedOcc 0
