0 mol 5 unq 0 iso 0 dist 8.25372 10.7254 7.44029 6.13695 7.74636 11.6519 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 7.36963 6.41686 6.50444 9.27837 6.77807 3.5691 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.49404 10.6901 8.94703 6.23313 8.85286 11.0715 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 6.62508 7.88348 9.3223 6.95803 9.2146 5.35996 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 9.77719 8.72422 9.3223 4.3475 9.2146 5.35996 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 8.87762 8.62176 9.81143 4.96658 9.41098 5.85133 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 7.39124 10.7612 7.57749 6.16081 5.4713 9.83606 numMergedOcc 0
7 mol 46 unq 1 iso 0 dist 7.39124 6.57152 8.55202 6.16081 5.4713 8.99132 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 8.31272 3.70978 5.41774 5.19478 8.29196 3.60325 numMergedOcc 0
9 mol 53 unq 0 iso 0 dist 9.06787 12.2544 5.40748 4.50355 9.32314 10.3937 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 5.14123 5.90023 9.01601 6.84869 6.23509 12.2062 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 5.65006 5.94401 6.63973 5.5308 5.45099 9.68005 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 5.65006 5.94401 6.63973 10.5881 8.44765 14.6547 numMergedOcc 0
13 mol 76 unq 2 iso 0 dist 5.65006 5.94401 6.63973 9.74852 9.06643 14.1202 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 6.53198 8.97892 6.12348 5.23075 4.30875 3.77247 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 6.53198 8.97892 6.12348 5.43595 8.65807 13.3539 numMergedOcc 0
16 mol 113 unq 2 iso 0 dist 6.53198 5.45975 7.2672 5.23075 4.30875 7.80142 numMergedOcc 0
17 mol 113 unq 3 iso 0 dist 6.53198 5.45975 7.2672 5.43595 8.65807 6.39991 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 6.31404 9.27523 5.56446 10.2525 5.95801 7.06015 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 6.31404 9.27523 5.56446 14.7938 9.92715 6 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 8.65328 9.52243 9.23064 4.18108 7.0961 7.13766 numMergedOcc 0
21 mol 168 unq 1 iso 0 dist 8.65328 9.52243 9.23064 3.6038 8.26768 7.29489 numMergedOcc 0
22 mol 169 unq 0 iso 0 dist 6.4644 8.878 6.27683 5.05368 4.11374 3.89732 numMergedOcc 0
23 mol 169 unq 1 iso 0 dist 6.4644 8.878 6.27683 5.49042 8.37602 13.2558 numMergedOcc 0
24 mol 169 unq 2 iso 0 dist 6.4644 5.51046 7.1757 5.05368 4.11374 7.61664 numMergedOcc 0
25 mol 169 unq 3 iso 0 dist 6.4644 5.51046 7.1757 5.49042 8.37602 6.01622 numMergedOcc 0
26 mol 233 unq 0 iso 0 dist 7.79426 6.03685 5.76164 10.3577 8.4338 4.45501 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 8.76085 4.86922 8.70029 3.92859 7.80473 5.73371 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 8.52702 11.113 7.27503 4.38276 9.73217 9.04755 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 6.66483 3.82462 7.37488 8.07304 7.90632 9.14234 numMergedOcc 0
30 mol 279 unq 1 iso 0 dist 6.66483 12.8107 8.7503 8.07304 7.90632 8.56235 numMergedOcc 0
31 mol 279 unq 2 iso 0 dist 5.52111 6.05145 7.37488 7.39007 7.90632 9.14234 numMergedOcc 0
32 mol 279 unq 3 iso 0 dist 5.52111 5.66521 8.7503 7.39007 7.90632 8.56235 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 7.37164 5.5725 9.14467 7.52677 6.22311 5.9286 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 7.37164 5.5725 9.14467 7.52677 6.22311 5.9286 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 7.37164 5.5725 9.14467 7.52677 6.22311 5.9286 numMergedOcc 0
