0 mol 26 unq 0 iso 0 dist 5.98456 6.17217 4.27162 4.29919 8.35396 6.56527 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 9.10646 7.42669 13.3658 8.92283 5.76475 11.1731 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.57191 7.57443 15.0328 15.0409 9.69315 17.5606 numMergedOcc 0
3 mol 108 unq 0 iso 0 dist 9.87572 9.39566 4.74403 13.9156 7.3542 12.0012 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 9.43487 9.66068 8.69658 14.8221 5.9758 10.4727 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 9.43487 8.03783 11.1416 14.8221 5.9758 14.1273 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 6.29634 9.34823 6.65893 4.01593 7.84768 12.0976 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 6.58803 9.04845 5.21958 6.26174 8.966 8.95662 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.96967 7.94325 5.21958 5.53181 8.966 8.95662 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 6.31523 6.72323 5.21958 14.5316 8.966 8.95662 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 9.2747 6.21194 9.23265 4.47323 6.73995 5.25109 numMergedOcc 0
11 mol 171 unq 1 iso 0 dist 8.45343 6.21194 7.86006 4.47323 8.619 5.25109 numMergedOcc 0
12 mol 237 unq 0 iso 0 dist 7.11512 8.42502 5.31202 3.96327 7.3216 8.10254 numMergedOcc 0
13 mol 268 unq 0 iso 0 dist 6.48551 8.6745 6.07154 6.04716 6.93759 10.6704 numMergedOcc 0
