0 mol 0 unq 0 iso 0 dist 6.19218 5.25456 7.19621 7.4304 8.52471 10.8812 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.19397 7.1599 7.19621 5.56616 8.52471 10.8812 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.36555 9.67404 6.79478 15.2415 8.3846 7.27724 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 7.8986 9.48441 6.6003 11.5903 9.14856 5.68303 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 7.8986 9.48441 6.6003 8.73619 4.97843 4.94316 numMergedOcc 0
5 mol 64 unq 2 iso 0 dist 7.8986 4.76091 6.44118 11.5903 9.14856 10.0075 numMergedOcc 0
6 mol 64 unq 3 iso 0 dist 7.8986 4.76091 6.44118 8.73619 4.97843 4.65281 numMergedOcc 0
7 mol 64 unq 4 iso 0 dist 7.24183 6.41829 6.6003 6.10515 9.14856 5.68303 numMergedOcc 0
8 mol 64 unq 5 iso 0 dist 7.24183 6.41829 6.6003 8.70732 4.97843 4.94316 numMergedOcc 0
9 mol 64 unq 6 iso 0 dist 7.24183 6.13923 6.44118 6.10515 9.14856 10.0075 numMergedOcc 0
10 mol 64 unq 7 iso 0 dist 7.24183 6.13923 6.44118 8.70732 4.97843 4.65281 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 5.39171 10.5627 6.89722 5.14919 6.4154 7.41074 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.27355 10.8067 9.68526 18.2285 9.67601 12.3103 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 9.27355 10.5627 7.26679 18.2285 9.67601 15.1106 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 9.27355 17.4113 9.30776 18.2285 9.67601 6.04779 numMergedOcc 0
15 mol 73 unq 4 iso 0 dist 5.92936 7.52996 9.28253 6.67626 9.30737 11.5287 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 8.4438 15.6609 9.28253 9.24886 9.30737 11.5287 numMergedOcc 0
17 mol 111 unq 0 iso 0 dist 8.83191 13.3198 8.42147 6.13136 4.9128 7.59143 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 8.14441 13.6129 8.0974 8.41654 5.20764 5.25267 numMergedOcc 0
19 mol 182 unq 0 iso 0 dist 8.94671 4.85077 7.86625 14.6819 9.23118 11.1088 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 8.63033 12.1408 9.72979 7.56103 8.42763 4.8585 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 8.63033 9.19627 6.97859 7.56103 8.42763 5.94313 numMergedOcc 0
22 mol 211 unq 0 iso 0 dist 9.8921 11.3877 8.63308 11.2747 9.97733 4.82752 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 9.81136 17.404 8.49704 15.9026 6.35728 6.67959 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 7.62593 11.4653 9.33771 7.32238 6.4508 5.29877 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 7.62593 12.5358 7.39839 7.32238 6.4508 6.12232 numMergedOcc 0
26 mol 224 unq 2 iso 0 dist 7.58998 6.87755 6.23882 4.10214 4.64336 5.70973 numMergedOcc 0
27 mol 226 unq 0 iso 0 dist 7.20862 10.5706 9.5723 7.32691 6.44662 9.45057 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 8.97411 4.6881 5.73296 6.42545 9.09553 5.95565 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 7.61232 8.57403 9.01085 7.63354 9.71218 7.20634 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 7.61232 8.70128 6.28512 7.63354 9.71218 5.3148 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 7.21004 6.11218 9.91395 13.3277 9.36111 10.9108 numMergedOcc 0
32 mol 274 unq 1 iso 0 dist 8.75703 6.98398 9.91395 6.1159 9.36111 10.9108 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 6.23539 6.13402 8.57532 8.39403 6.73204 5.01729 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 6.23539 6.16829 9.02914 8.39403 6.73204 10.7534 numMergedOcc 0
35 mol 277 unq 2 iso 0 dist 6.23539 7.44724 6.90434 8.39403 6.73204 12.6113 numMergedOcc 0
36 mol 282 unq 0 iso 0 dist 5.62497 8.13794 9.63346 4.91806 5.2527 6.3384 numMergedOcc 0
