0 mol 12 unq 0 iso 0 dist 5.9021 6.6051 4.86727 10.1259 12.2342 8.15864 6.98179 11.2497 9.75368 6.9065 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.98466 6.6051 10.763 10.1259 12.3593 8.15864 6.98179 12.4753 9.75368 6.9065 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 12.1186 9.86958 8.85416 6.33529 9.90876 9.15386 10.9729 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 9.86958 8.85416 5.88036 12.1186 6.08228 5.66803 10.9729 9.90876 9.15386 6.33529 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 7.8986 8.52643 7.05519 5.76037 7.24183 5.41357 15.4665 12.2258 8.75668 9.95527 numMergedOcc 0
5 mol 64 unq 3 iso 0 dist 7.8986 8.52643 7.05519 5.76037 7.24183 5.41357 9.48441 6.6003 9.64871 6.41829 numMergedOcc 0
6 mol 64 unq 4 iso 0 dist 7.8986 8.52643 7.05519 5.76037 7.24183 5.41357 4.76091 6.44118 9.95118 6.13923 numMergedOcc 0
7 mol 64 unq 5 iso 0 dist 7.24183 5.41357 7.05519 5.76037 7.8986 8.52643 9.95527 12.2258 8.75668 15.4665 numMergedOcc 0
8 mol 64 unq 6 iso 0 dist 7.24183 5.41357 7.05519 5.76037 7.8986 8.52643 6.41829 6.6003 9.64871 9.48441 numMergedOcc 0
9 mol 64 unq 7 iso 0 dist 7.24183 5.41357 7.05519 5.76037 7.8986 8.52643 6.13923 6.44118 9.95118 4.76091 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.92936 9.47045 9.95663 11.7643 12.762 8.07498 10.5755 13.8253 9.04731 4.97477 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 5.92936 9.47045 9.95663 11.7643 12.762 8.07498 9.80866 13.1851 9.85884 16.0506 numMergedOcc 0
12 mol 105 unq 0 iso 0 dist 8.80388 6.11833 5.89806 4.40288 8.8689 7.12201 11.5147 14.1524 9.94398 9.36409 numMergedOcc 0
13 mol 105 unq 1 iso 0 dist 8.8689 7.12201 5.89806 4.40288 8.80388 6.11833 9.36409 14.1524 9.94398 11.5147 numMergedOcc 0
14 mol 105 unq 2 iso 0 dist 7.28156 6.11833 6.96209 4.40288 9.18139 7.12201 11.5147 16.1249 9.94398 9.36409 numMergedOcc 0
15 mol 105 unq 3 iso 0 dist 9.18139 7.12201 6.96209 4.40288 7.28156 6.11833 9.36409 16.1249 9.94398 11.5147 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.86207 8.57174 14.3078 12.1405 14.4096 6.80214 9.18635 15.7208 9.9693 14.1934 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 7.58998 6.23677 6.88745 5.49559 11.537 9.04741 6.87755 6.23882 7.49783 12.3271 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 7.58998 6.23677 6.88745 5.92863 12.3857 7.31608 6.87755 6.23882 7.49783 11.0252 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 7.6402 7.74348 13.5224 15.386 21.9904 8.63249 6.49831 13.61 5.90804 10.2557 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 9.59937 7.58554 5.94643 7.99748 10.2589 8.26312 8.27566 12.985 7.78671 7.05402 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 11.3688 12.4458 8.15119 7.44724 6.90434 4.81916 5.77904 numMergedOcc 0
22 mol 293 unq 0 iso 0 dist 8.8788 4.72125 8.14268 8.71249 12.8233 7.41524 5.66805 13.1135 5.44043 8.15525 numMergedOcc 0
23 mol 293 unq 1 iso 0 dist 8.8788 4.72125 8.14268 6.3489 8.42712 6.42608 5.66805 13.1135 5.44043 9.35524 numMergedOcc 0
24 mol 293 unq 2 iso 0 dist 8.42712 6.42608 8.14268 6.3489 8.8788 4.72125 9.35524 13.1135 5.44043 5.66805 numMergedOcc 0
25 mol 293 unq 3 iso 0 dist 8.42712 6.42608 8.14268 5.34794 12.8233 7.41524 9.35524 13.1135 5.44043 8.15525 numMergedOcc 0
