0 mol 4 unq 0 iso 0 dist 8.85328 11.0606 7.22113 15.4662 7.35416 7.14866 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.85328 11.0606 7.22113 6.47885 6.42755 5.50517 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 6.29581 4.21593 6.19906 6.92643 5.86181 4.6621 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 6.29581 4.21593 6.19906 12.586 6.3253 11.5288 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 6.29581 4.21593 6.19906 9.82353 5.80568 9.3565 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 5.21143 8.14147 6.19906 7.05618 5.86181 4.6621 numMergedOcc 0
6 mol 20 unq 4 iso 0 dist 5.21143 8.14147 6.19906 10.3161 6.3253 11.5288 numMergedOcc 0
7 mol 20 unq 5 iso 0 dist 5.21143 8.14147 6.19906 5.82005 5.80568 9.3565 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.58313 4.63693 9.97663 7.76066 5.75014 8.86956 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 9.35946 5.03727 7.01507 7.07473 6.40575 5.51309 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 6.02094 9.51492 8.84599 4.80772 5.94379 5.96277 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.76308 15.5315 7.89312 9.75326 6.21159 9.52106 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 8.25221 7.80194 5.47004 11.3395 8.26288 3.72014 numMergedOcc 0
13 mol 192 unq 1 iso 0 dist 8.25221 7.80194 5.47004 8.47522 6.60053 7.05918 numMergedOcc 0
14 mol 192 unq 2 iso 0 dist 6.64416 7.80194 7.36742 8.47522 9.36796 7.05918 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 7.51337 12.4041 7.93342 7.6183 8.37739 6.88681 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 7.51337 12.4041 7.93342 11.0788 9.47237 4.55231 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 8.38581 17.92 9.60449 7.10619 7.00243 14.63 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 6.74022 5.87659 9.71673 8.85159 6.88827 10.4158 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 6.74022 5.87659 9.71673 9.16187 9.16942 14.9486 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 6.71956 7.28231 9.04531 7.01915 8.20644 6.17749 numMergedOcc 0
21 mol 280 unq 0 iso 0 dist 9.35785 7.30732 5.85236 5.51019 6.73712 3.84243 numMergedOcc 0
