0 mol 26 unq 0 iso 0 dist 8.62527 4.21886 8.65828 9.7522 4.52042 9.80897 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 5.68877 5.70643 4.50643 7.10899 4.30086 7.78892 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 7.49861 4.69203 5.45684 8.99491 11.6779 8.75668 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 7.49861 4.69203 5.45684 13.8335 12.0048 9.64871 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 7.49861 4.69203 5.45684 14.6397 10.7116 9.95118 numMergedOcc 0
5 mol 64 unq 3 iso 0 dist 6.2165 4.69203 7.76644 8.99491 10.1207 8.75668 numMergedOcc 0
6 mol 64 unq 4 iso 0 dist 6.2165 4.69203 7.76644 13.8335 15.2828 9.64871 numMergedOcc 0
7 mol 64 unq 5 iso 0 dist 6.2165 4.69203 7.76644 14.6397 15.7534 9.95118 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 6.34794 4.37836 9.00302 7.09405 4.98189 7.32156 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 9.66828 7.7205 7.26325 12.5845 6.65856 6.42706 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 7.49276 5.49557 9.06599 4.44292 4.97552 8.57712 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 9.13184 4.20708 5.50879 10.9212 10.9993 8.50926 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 7.27593 4.20708 6.69157 10.9212 4.75264 8.50926 numMergedOcc 0
13 mol 172 unq 0 iso 0 dist 9.41172 12.9865 9.21942 17.6293 9.90132 8.84981 numMergedOcc 0
14 mol 172 unq 1 iso 0 dist 9.41172 4.73085 7.44084 9.78387 5.78278 5.44495 numMergedOcc 0
15 mol 172 unq 2 iso 0 dist 9.41172 4.73085 7.44084 14.2477 10.5031 9.54742 numMergedOcc 0
16 mol 172 unq 3 iso 0 dist 9.41172 12.2355 7.77643 9.78387 5.78278 9.18538 numMergedOcc 0
17 mol 172 unq 4 iso 0 dist 8.2809 4.73085 5.28889 9.78387 5.25252 5.44495 numMergedOcc 0
18 mol 172 unq 5 iso 0 dist 8.2809 4.73085 5.28889 14.2477 9.10992 9.54742 numMergedOcc 0
19 mol 172 unq 6 iso 0 dist 8.2809 12.2355 4.90175 9.78387 5.25252 9.18538 numMergedOcc 0
20 mol 209 unq 0 iso 0 dist 9.39076 8.27556 8.78565 17.5068 12.9345 9.62543 numMergedOcc 0
21 mol 209 unq 1 iso 0 dist 8.49635 5.89664 6.82209 13.3194 5.3114 9.66809 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 5.83646 5.64173 7.75366 9.94315 10.1036 4.80834 numMergedOcc 0
23 mol 244 unq 0 iso 0 dist 9.16789 4.30655 6.2667 13.4982 8.82711 9.21656 numMergedOcc 0
24 mol 244 unq 1 iso 0 dist 8.19381 8.49995 6.2667 7.65388 8.82711 9.21656 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 6.41167 5.66907 8.73425 5.73834 5.13233 9.04358 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 6.43775 4.39302 7.27155 9.43335 9.80039 8.91251 numMergedOcc 0
27 mol 271 unq 0 iso 0 dist 8.54162 5.60228 5.76281 9.56149 5.31774 9.42899 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 9.83374 14.3152 7.85797 16.347 6.69098 9.37841 numMergedOcc 0
29 mol 273 unq 1 iso 0 dist 5.75335 9.51983 7.85797 10.1523 6.69098 9.37841 numMergedOcc 0
30 mol 276 unq 0 iso 0 dist 9.51947 5.20175 5.54217 12.4657 6.02816 8.15803 numMergedOcc 0
31 mol 276 unq 1 iso 0 dist 8.9021 4.13451 5.54217 12.2554 6.02816 8.15803 numMergedOcc 0
32 mol 280 unq 0 iso 0 dist 4.26671 4.65268 6.38295 9.16248 8.30978 5.41639 numMergedOcc 0
33 mol 280 unq 1 iso 0 dist 4.26671 4.65268 6.38295 9.02427 5.80223 7.96485 numMergedOcc 0
