0 mol 0 unq 0 iso 0 dist 7.37981 10.169 9.23213 7.30381 5.24778 8.34244 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.19621 11.8799 9.23213 11.9766 5.24778 8.34244 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 7.21217 12.4418 9.36807 12.8055 13.8829 9.97624 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 6.79478 16.1353 9.53002 16.1805 10.9183 8.73067 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 9.69454 8.47464 6.00439 13.0639 4.42145 9.85134 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 9.69454 8.47464 6.00439 10.4238 6.42867 5.82366 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.59893 10.8658 5.02241 8.77224 4.29856 6.30987 numMergedOcc 0
7 mol 54 unq 1 iso 0 dist 5.59773 10.352 5.02241 5.7405 4.29856 6.30987 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 9.56737 17.0485 8.89374 11.799 5.49591 9.11258 numMergedOcc 0
9 mol 64 unq 0 iso 0 dist 6.6003 5.78769 9.54144 11.9735 11.4485 9.32552 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 8.0614 12.5495 7.87814 14.1519 6.54837 5.9249 numMergedOcc 0
11 mol 87 unq 0 iso 0 dist 8.50159 9.76372 7.51358 13.4955 5.95671 7.2268 numMergedOcc 0
12 mol 87 unq 1 iso 0 dist 8.50159 9.76372 7.51358 12.4947 4.33593 9.69219 numMergedOcc 0
13 mol 87 unq 2 iso 0 dist 8.50159 11.9014 8.93296 17.5893 9.9869 9.28624 numMergedOcc 0
14 mol 87 unq 3 iso 0 dist 8.50159 11.9014 8.93296 13.4955 5.95671 8.31175 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 9.514 5.02124 5.81965 7.2131 8.55834 7.1539 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 9.514 5.02124 5.81965 7.44343 9.50382 5.39745 numMergedOcc 0
17 mol 92 unq 2 iso 0 dist 7.84888 5.02124 7.06013 7.2131 8.51055 7.1539 numMergedOcc 0
18 mol 92 unq 3 iso 0 dist 7.84888 5.02124 7.06013 7.44343 11.3858 5.39745 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 7.88564 5.07584 4.76815 12.0785 7.16919 7.09065 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 6.78459 7.59628 4.76815 9.95103 7.16919 7.09065 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 8.64783 7.19662 6.73814 16.9807 13.7032 9.83981 numMergedOcc 0
22 mol 126 unq 0 iso 0 dist 9.54928 13.0595 7.75534 12.4696 6.0268 7.36017 numMergedOcc 0
23 mol 126 unq 1 iso 0 dist 9.54928 13.0595 7.75534 16.2098 8.01268 5.14819 numMergedOcc 0
24 mol 126 unq 2 iso 0 dist 9.54928 13.0595 7.75534 18.1963 10.2072 6.84245 numMergedOcc 0
25 mol 140 unq 0 iso 0 dist 9.93572 5.36419 7.27371 11.4012 7.3833 8.60108 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 6.42756 9.82776 6.93652 12.4715 7.42649 5.26989 numMergedOcc 0
27 mol 141 unq 1 iso 0 dist 6.42756 9.82776 6.93652 15.9998 10.6531 7.76442 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 9.61081 6.50232 7.31468 5.75595 10.0059 6.46089 numMergedOcc 0
29 mol 143 unq 1 iso 0 dist 5.46922 6.50232 7.7056 5.75595 8.57817 6.46089 numMergedOcc 0
30 mol 156 unq 0 iso 0 dist 7.30021 10.3893 6.27641 9.6281 5.4555 5.81122 numMergedOcc 0
31 mol 175 unq 0 iso 0 dist 9.00898 13.7622 9.52634 14.1076 6.77832 8.99988 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 8.69888 14.6255 9.8589 15.8107 8.29015 5.4997 numMergedOcc 0
33 mol 175 unq 2 iso 0 dist 8.69888 14.6255 9.8589 21.213 14.7282 6.99693 numMergedOcc 0
34 mol 175 unq 3 iso 0 dist 5.08206 11.5085 9.8589 11.0322 8.29015 5.4997 numMergedOcc 0
35 mol 175 unq 4 iso 0 dist 5.08206 11.5085 9.8589 17.0306 14.7282 6.99693 numMergedOcc 0
36 mol 194 unq 0 iso 0 dist 7.32478 7.54928 5.48258 11.9074 7.11753 8.52969 numMergedOcc 0
37 mol 194 unq 1 iso 0 dist 9.48439 8.68698 5.48258 10.896 7.11753 8.52969 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 9.18675 9.95811 7.22914 14.3298 6.00069 9.52615 numMergedOcc 0
39 mol 235 unq 0 iso 0 dist 7.2346 9.5053 7.32211 13.0195 6.46722 7.31773 numMergedOcc 0
40 mol 253 unq 0 iso 0 dist 7.7993 14.5897 7.19465 11.2785 5.78064 9.58354 numMergedOcc 0
41 mol 253 unq 1 iso 0 dist 6.10761 8.77813 7.19465 11.2304 5.78064 9.58354 numMergedOcc 0
42 mol 257 unq 0 iso 0 dist 8.18901 9.38826 7.27505 13.9495 6.74593 8.60481 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 9.58006 15.1483 7.48005 9.69025 8.81835 8.71497 numMergedOcc 0
44 mol 259 unq 1 iso 0 dist 5.90381 10.8128 7.50578 18.1912 14.3125 8.92185 numMergedOcc 0
