0 mol 48 unq 0 iso 0 dist 7.4343 6.39142 5.35252 8.45554 9.48288 11.0398 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.05327 6.64431 5.06188 8.62518 9.16212 11.0408 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 7.6104 13.468 7.2118 11.4378 5.68212 10.4465 numMergedOcc 0
3 mol 105 unq 0 iso 0 dist 7.62091 6.35865 6.11833 10.1347 8.40598 8.65154 numMergedOcc 0
4 mol 105 unq 1 iso 0 dist 7.62091 3.51216 7.12201 10.1347 8.40598 11.2367 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 9.09071 5.73517 6.53824 7.3393 8.3971 10.4136 numMergedOcc 0
6 mol 116 unq 1 iso 0 dist 7.7367 5.73517 6.61973 7.3393 6.74026 10.4136 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 7.21606 13.2658 9.40718 4.75774 9.2933 14.1039 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 7.21606 13.2658 9.40718 9.91956 8.77781 5.39949 numMergedOcc 0
9 mol 198 unq 0 iso 0 dist 9.83891 13.6481 7.86075 13.745 9.60514 6.51466 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 8.96503 4.79799 5.86839 6.06387 9.37516 8.3451 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 6.61789 5.87078 8.05949 5.21133 9.24401 7.26107 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 7.58632 4.66603 7.82201 9.71025 5.82124 11.045 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 7.58632 5.53796 5.86911 9.71025 5.82124 5.74127 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 8.24184 13.2154 8.63249 6.01595 5.91739 11.7955 numMergedOcc 0
15 mol 236 unq 1 iso 0 dist 8.24184 6.63806 7.74348 6.01595 5.91739 8.52618 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 6.55222 13.0572 8.86185 15.0148 8.87182 5.86546 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 6.55222 13.0572 8.86185 5.93253 5.95622 8.35939 numMergedOcc 0
18 mol 255 unq 0 iso 0 dist 8.01663 9.80877 7.57779 8.48701 8.88059 6.1967 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 8.36731 6.35062 8.09912 10.1596 9.56051 6.30229 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 7.32876 9.77666 8.57274 4.39424 7.87648 12.3617 numMergedOcc 0
