0 mol 34 unq 0 iso 0 dist 6.17472 9.48195 15.1968 5.3372 6.87871 9.99939 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.58709 7.80117 5.46849 9.69698 9.74445 9.02471 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.53564 9.79386 5.46849 5.90113 9.74445 9.02471 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.10175 9.63616 7.25076 5.65405 5.59773 8.31068 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.84699 5.7576 8.69689 13.4367 6.89722 11.3218 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.40844 5.7576 8.0072 5.33851 9.68526 6.23522 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.40844 5.7576 8.0072 13.4367 7.26679 11.3218 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.40844 5.7576 8.0072 15.7164 9.30776 12.8353 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 6.99156 5.7576 9.61302 5.33851 9.72442 6.23522 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 6.99156 5.7576 9.61302 16.0086 9.02288 17.5741 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 5.51185 6.54699 4.19577 9.11989 8.77773 10.7342 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 7.73836 9.5434 8.94532 5.09542 9.01767 5.54256 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 5.24519 8.16392 5.11935 5.34484 7.70533 10.1696 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 8.26291 8.12319 4.81304 5.25879 8.54461 8.81797 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 8.26291 8.12319 4.81304 10.9365 7.83619 5.92733 numMergedOcc 0
15 mol 130 unq 2 iso 0 dist 7.86001 9.04366 4.81304 10.7254 8.54461 8.81797 numMergedOcc 0
16 mol 130 unq 3 iso 0 dist 7.86001 9.04366 4.81304 5.63567 7.83619 5.92733 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 5.50364 8.44004 5.51548 5.29825 8.97145 8.80895 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 8.7301 8.44004 5.61122 5.29825 6.5874 8.80895 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 8.39634 7.19751 10.8953 9.72213 9.00898 9.19156 numMergedOcc 0
20 mol 185 unq 0 iso 0 dist 6.11382 8.12894 6.49896 10.9948 8.04591 14.154 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 4.46314 4.76819 3.79439 5.20266 8.68464 8.60731 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 4.21935 7.99963 7.72768 4.77446 6.37342 4.43499 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 8.04265 7.54349 6.40957 14.8036 9.73021 12.8652 numMergedOcc 0
24 mol 252 unq 1 iso 0 dist 9.42193 7.38867 8.56684 14.864 9.73021 12.9602 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 9.96645 9.76634 14.3277 6.04536 9.696 11.8311 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 9.29005 9.76634 13.8247 10.2696 6.00877 13.2967 numMergedOcc 0
27 mol 274 unq 2 iso 0 dist 8.16746 9.76634 9.90818 10.2696 8.66451 13.2967 numMergedOcc 0
