0 mol 15 unq 0 iso 0 dist 5.94245 9.36663 8.3794 5.88932 6.42748 6.3431 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 5.94245 9.36663 8.3794 9.21064 7.48342 9.85033 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 7.31505 5.7105 9.91234 9.49186 7.90294 8.94818 numMergedOcc 0
3 mol 65 unq 1 iso 0 dist 7.31505 5.7105 9.91234 6.80796 9.34791 12.4023 numMergedOcc 0
4 mol 65 unq 2 iso 0 dist 7.31505 5.7105 9.91234 5.06408 8.22785 10.2221 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 7.27852 10.8913 6.42707 4.35132 5.65974 7.54641 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 4.86532 4.4056 7.12701 5.27581 5.73743 5.96173 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 8.00497 4.00808 6.3322 7.31538 7.4671 6.29657 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 5.65876 12.7823 7.7461 11.4341 9.72053 14.5095 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 5.65876 12.7823 7.7461 7.02907 7.7949 10.449 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.9967 7.57026 8.809 10.0484 9.90168 10.6249 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.8891 4.75097 5.66405 16.1376 9.97343 13.0477 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 6.8891 4.75097 5.66405 10.4675 9.70413 6.64386 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.83185 6.2128 7.08557 5.49497 5.94469 5.38569 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 9.0234 13.88 7.08557 10.9813 5.94469 5.38569 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 9.3437 6.01671 9.854 7.24106 6.95086 9.70055 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.639 7.03981 7.59757 12.1292 7.32294 10.2677 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 8.72409 6.60289 8.70049 4.98446 8.66332 8.43758 numMergedOcc 0
18 mol 229 unq 1 iso 0 dist 8.72409 7.70905 9.55385 4.98446 8.66332 5.88282 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 6.62283 12.7339 9.49129 10.2134 7.57812 5.65008 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 6.62283 12.7339 9.49129 5.88384 9.24557 14.6188 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 8.60978 12.7339 6.80544 10.2134 8.69104 5.65008 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 9.61914 4.51125 8.99878 5.5592 9.01021 5.54495 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 6.7282 4.34115 9.58168 8.71871 5.48118 12.8314 numMergedOcc 0
24 mol 249 unq 1 iso 0 dist 6.7282 4.34115 9.58168 7.87761 7.25858 11.6796 numMergedOcc 0
25 mol 271 unq 0 iso 0 dist 6.70662 4.32077 6.85471 4.75339 9.70714 5.49799 numMergedOcc 0
