0 mol 26 unq 0 iso 0 dist 5.97065 10.1933 9.16962 12.8678 11.887 8.34347 14.8383 15.0652 7.23546 6.73162 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 9.0405 9.7939 8.72704 10.6961 10.1589 7.47343 15.6994 16.0363 15.209 7.75343 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 5.43229 5.98221 7.76729 13.352 10.7942 9.33865 10.6288 12.4065 6.09023 9.66954 numMergedOcc 0
3 mol 115 unq 1 iso 0 dist 5.43229 5.98221 7.76729 13.352 10.7942 9.33865 10.4008 6.40036 10.2377 7.64585 numMergedOcc 0
4 mol 115 unq 2 iso 0 dist 5.43229 5.98221 7.76729 11.172 10.9739 5.83991 10.6288 12.4065 6.09023 8.66155 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 9.80337 10.3931 7.34519 19.5766 13.1312 9.30299 12.8824 11.7518 4.77464 9.81878 numMergedOcc 0
6 mol 155 unq 0 iso 0 dist 9.70106 7.52846 9.38946 12.6012 12.8482 6.43582 13.9424 18.2998 12.1814 9.14392 numMergedOcc 0
7 mol 155 unq 1 iso 0 dist 9.70106 7.52846 9.38946 12.6012 12.8482 6.43582 6.72445 11.3251 6.34186 7.51198 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 9.34871 4.89429 7.20046 10.4189 5.4601 5.98885 10.0187 10.5561 5.86342 6.94688 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 9.34871 4.89429 7.20046 10.4189 5.4601 5.98885 13.4037 9.94131 9.14057 6.71012 numMergedOcc 0
10 mol 181 unq 2 iso 0 dist 5.55727 4.89429 7.13543 10.4189 10.0524 5.98885 10.0187 11.7007 5.86342 6.94688 numMergedOcc 0
11 mol 181 unq 3 iso 0 dist 5.55727 4.89429 7.13543 10.4189 10.0524 5.98885 13.4037 12.8673 9.14057 6.71012 numMergedOcc 0
12 mol 209 unq 0 iso 0 dist 5.20111 5.35615 9.52027 5.92907 6.43758 7.56373 10.2593 11.5217 7.19056 7.95911 numMergedOcc 0
13 mol 235 unq 0 iso 0 dist 9.24964 6.70342 9.58736 6.45574 9.66021 5.4638 5.61388 11.9287 4.65302 8.21247 numMergedOcc 0
14 mol 235 unq 1 iso 0 dist 5.71896 6.01036 9.58736 8.14407 9.66021 5.4638 6.59128 11.9287 4.65302 8.21247 numMergedOcc 0
15 mol 235 unq 2 iso 0 dist 8.3229 17.1296 9.58736 15.9155 9.66021 5.4638 18.2462 11.9287 4.65302 8.21247 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 6.89216 11.0676 6.91569 16.8665 10.9761 6.57393 16.675 11.9092 6.20606 5.38637 numMergedOcc 0
17 mol 248 unq 0 iso 0 dist 8.39127 5.8982 8.50864 10.1466 10.1857 7.69895 10.6288 13.4404 6.48757 6.07192 numMergedOcc 0
18 mol 248 unq 1 iso 0 dist 7.96942 7.63032 8.50864 7.40475 10.1857 7.69895 10.2858 13.4404 6.48757 6.07192 numMergedOcc 0
