0 mol 73 unq 0 iso 0 dist 5.60664 12.0868 7.61405 7.70943 9.87177 17.4559 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 5.60664 12.0868 7.61405 3.98918 6.70925 11.2167 numMergedOcc 0
2 mol 73 unq 2 iso 0 dist 5.60664 12.0868 7.61405 8.5233 8.95756 9.45641 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 8.19523 9.51738 7.44186 5.76592 6.59382 4.01477 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.7424 7.49807 5.8785 6.65943 6.69328 4.61855 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 9.15823 7.68073 6.98876 4.42733 6.97361 6.08419 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 9.63401 6.94348 6.98876 10.0068 6.97361 6.08419 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 5.98822 4.87865 5.38954 4.36058 6.81489 8.64874 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 6.00571 7.85553 9.78409 13.0354 8.88979 11.8683 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 9.58272 7.95074 7.26891 4.81196 7.31277 4.05045 numMergedOcc 0
10 mol 154 unq 1 iso 0 dist 5.67578 4.57254 7.26891 7.0408 7.31277 4.05045 numMergedOcc 0
11 mol 232 unq 0 iso 0 dist 7.38809 9.71446 9.65375 4.69185 6.11539 12.2018 numMergedOcc 0
12 mol 232 unq 1 iso 0 dist 7.38809 9.71446 9.65375 12.5532 9.71082 19.0053 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 6.05991 13.3231 9.5831 11.0483 9.36753 5.55026 numMergedOcc 0
14 mol 257 unq 0 iso 0 dist 6.82161 11.273 8.42116 6.83442 9.02271 12.2428 numMergedOcc 0
15 mol 257 unq 1 iso 0 dist 6.82161 8.30954 8.53984 6.83442 9.02271 9.93273 numMergedOcc 0
16 mol 257 unq 2 iso 0 dist 5.97154 11.5483 8.42116 6.62684 9.02271 12.2428 numMergedOcc 0
17 mol 257 unq 3 iso 0 dist 5.97154 11.5492 8.53984 6.62684 9.02271 9.93273 numMergedOcc 0
18 mol 257 unq 4 iso 0 dist 8.4903 16.1477 8.42116 10.5563 9.02271 12.2428 numMergedOcc 0
19 mol 257 unq 5 iso 0 dist 8.4903 16.1125 8.53984 10.5563 9.02271 9.93273 numMergedOcc 0
20 mol 257 unq 6 iso 0 dist 8.04644 14.1389 8.42116 11.8018 9.02271 12.2428 numMergedOcc 0
21 mol 257 unq 7 iso 0 dist 8.04644 15.3553 8.53984 11.8018 9.02271 9.93273 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 6.09059 9.52861 8.87598 5.0262 5.45793 6.00285 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 5.11475 4.53925 8.49619 10.4615 8.05522 12.1779 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 5.11475 4.53925 8.49619 9.34577 9.8799 13.6237 numMergedOcc 0
25 mol 264 unq 2 iso 0 dist 5.11475 12.1153 9.23807 10.4615 8.05522 3.96435 numMergedOcc 0
26 mol 264 unq 3 iso 0 dist 5.11475 12.1153 9.23807 9.34577 9.8799 13.2227 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 6.28096 11.0879 5.02677 5.90162 6.42303 8.9836 numMergedOcc 0
28 mol 294 unq 1 iso 0 dist 6.28096 12.9547 8.34193 5.90162 6.42303 9.20989 numMergedOcc 0
29 mol 294 unq 2 iso 0 dist 6.20852 12.8252 7.6859 4.10727 5.27236 11.4279 numMergedOcc 0
30 mol 294 unq 3 iso 0 dist 6.20852 10.7883 8.35722 4.10727 5.27236 9.32276 numMergedOcc 0
