0 mol 28 unq 0 iso 0 dist 8.24316 6.76158 11.1346 4.3475 7.7871 8.53424 6.18197 13.3907 5.42412 9.64948 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.24316 7.423 10.8275 4.3475 7.7871 7.08766 6.18197 13.3907 8.09862 9.64948 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.24316 7.423 10.8275 4.3475 7.7871 7.08766 13.6562 14.0551 8.97167 10.1805 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.24316 5.89257 7.90018 4.3475 7.7871 4.82199 6.18197 13.3907 8.89114 9.64948 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 8.24316 5.89257 7.90018 4.3475 7.7871 4.82199 13.6562 14.0551 8.8182 10.1805 numMergedOcc 0
5 mol 42 unq 0 iso 0 dist 9.83301 7.73997 10.1829 9.67906 7.53194 13.1561 5.6382 5.52834 9.39402 4.62559 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 8.82919 4.74574 9.25177 11.8487 6.68153 12.7104 7.40375 15.9146 8.988 19.1661 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 6.31934 8.1717 7.31044 5.12034 7.61377 12.5231 10.5572 14.2412 8.96898 15.5522 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.08674 8.26805 11.6853 6.27527 5.91098 7.66068 4.77004 7.48127 9.50939 8.58474 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 8.33694 8.26805 4.94673 6.27527 4.86523 7.66068 4.77004 11.1162 9.50939 8.58474 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 8.60438 7.30934 4.77556 4.3421 8.63446 5.24346 9.63545 9.06641 7.01987 6.65219 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 8.25015 8.18193 15.571 6.06647 8.53631 13.4064 5.64342 12.7251 5.87382 10.9333 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 7.88346 5.24882 5.08025 6.03327 5.33772 4.3855 5.57673 5.40826 6.38786 3.66518 numMergedOcc 0
13 mol 266 unq 0 iso 0 dist 9.51286 6.9943 5.79323 4.58167 6.48382 6.96692 4.80695 9.62494 9.90506 4.39553 numMergedOcc 0
14 mol 266 unq 1 iso 0 dist 9.51286 6.9943 5.79323 4.58167 6.48382 6.96692 4.47412 10.0796 9.03341 3.94797 numMergedOcc 0
15 mol 266 unq 2 iso 0 dist 9.51286 7.36685 7.52317 4.58167 6.48382 8.25286 8.13583 9.0836 6.39822 7.63149 numMergedOcc 0
16 mol 266 unq 3 iso 0 dist 9.51286 7.36685 7.52317 4.58167 6.48382 8.25286 4.80695 9.62494 8.61077 4.39553 numMergedOcc 0
17 mol 266 unq 4 iso 0 dist 9.51286 9.03099 9.52953 4.58167 6.48382 9.9965 8.13583 9.0836 5.36518 7.63149 numMergedOcc 0
18 mol 266 unq 5 iso 0 dist 9.51286 9.03099 9.52953 4.58167 6.48382 9.9965 4.80695 9.62494 9.11585 4.39553 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.92271 7.34927 5.11865 9.69757 4.1545 7.98956 4.00063 8.15119 9.07744 9.21484 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 6.92271 7.34927 5.11865 9.69757 4.1545 7.98956 13.5537 9.29402 8.42892 7.73174 numMergedOcc 0
21 mol 277 unq 2 iso 0 dist 6.92271 7.34927 5.11865 9.69757 4.1545 7.98956 12.5125 13.5254 8.90967 16.883 numMergedOcc 0
22 mol 277 unq 3 iso 0 dist 6.92271 7.34927 5.11865 10.2113 4.25172 5.86185 4.00063 8.15119 9.07744 10.3506 numMergedOcc 0
23 mol 277 unq 4 iso 0 dist 6.92271 7.34927 5.11865 10.2113 4.25172 5.86185 13.5537 9.29402 8.42892 5.42115 numMergedOcc 0
24 mol 277 unq 5 iso 0 dist 6.92271 7.34927 5.11865 10.2113 4.25172 5.86185 12.5125 13.5254 8.90967 14.5363 numMergedOcc 0
25 mol 277 unq 6 iso 0 dist 8.62666 7.54315 5.11865 7.55695 4.1545 7.98956 9.31316 8.15119 9.07744 9.21484 numMergedOcc 0
26 mol 277 unq 7 iso 0 dist 8.62666 7.54315 5.11865 7.55695 4.1545 7.98956 4.15308 9.29402 8.42892 7.73174 numMergedOcc 0
27 mol 277 unq 8 iso 0 dist 8.62666 7.54315 5.11865 7.55695 4.1545 7.98956 14.7276 13.5254 8.90967 16.883 numMergedOcc 0
28 mol 277 unq 9 iso 0 dist 8.62666 7.54315 5.11865 6.26644 4.25172 5.86185 9.31316 8.15119 9.07744 10.3506 numMergedOcc 0
29 mol 277 unq 10 iso 0 dist 8.62666 7.54315 5.11865 6.26644 4.25172 5.86185 4.15308 9.29402 8.42892 5.42115 numMergedOcc 0
30 mol 277 unq 11 iso 0 dist 8.62666 7.54315 5.11865 6.26644 4.25172 5.86185 14.7276 13.5254 8.90967 14.5363 numMergedOcc 0
