0 mol 0 unq 0 iso 0 dist 9.23213 6.26831 4.04089 5.24778 8.34244 6.64713 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.81979 6.26831 7.56754 5.24778 12.5479 6.64713 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.33604 7.3915 11.705 14.1378 20.3264 8.77457 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 9.87449 7.032 6.93413 4.98827 11.621 6.32226 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.78293 6.92532 15.1136 4.97119 13.1234 6.39966 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 8.23643 6.92532 6.87842 4.97119 11.3136 6.39966 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 8.73972 6.36455 6.87842 6.01808 11.3136 6.39966 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 6.00439 7.48847 6.34272 6.42867 5.82366 6.39966 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 7.82528 6.92532 6.34272 4.97119 5.82366 6.39966 numMergedOcc 0
9 mol 26 unq 0 iso 0 dist 6.73162 8.44506 8.13684 10.9837 12.2621 9.5053 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.46761 7.27383 9.17656 5.85698 9.11258 6.62229 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 7.58407 7.27383 10.8775 5.85698 12.7653 6.62229 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 8.70133 7.04044 11.2505 5.11416 7.10439 6.48232 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 4.65521 8.73253 11.2505 6.56633 7.10439 6.48232 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 8.97793 4.79949 6.81799 4.3931 10.8997 6.66954 numMergedOcc 0
15 mol 76 unq 1 iso 0 dist 8.97793 7.27693 6.42322 6.45686 11.1148 9.75201 numMergedOcc 0
16 mol 76 unq 2 iso 0 dist 8.19682 4.79949 8.83525 4.3931 11.4594 6.66954 numMergedOcc 0
17 mol 76 unq 3 iso 0 dist 8.19682 7.27693 5.77727 6.45686 7.03226 9.75201 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 9.47876 7.1589 12.5072 9.29301 10.0297 8.70863 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 8.72704 7.12017 6.00843 9.75737 14.4265 9.5669 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 8.71128 6.34525 14.3491 12.7083 20.6955 9.35942 numMergedOcc 0
21 mol 114 unq 1 iso 0 dist 6.96442 9.7918 7.27945 7.12268 9.52562 7.42482 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 6.99777 5.74857 6.03931 5.22052 5.60389 8.85881 numMergedOcc 0
23 mol 115 unq 1 iso 0 dist 9.14376 5.74857 5.99374 5.22052 13.7028 8.85881 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 9.63176 7.77116 8.96522 7.20179 11.8717 8.8562 numMergedOcc 0
25 mol 119 unq 1 iso 0 dist 9.63176 7.77116 8.96522 9.89358 15.8603 7.91683 numMergedOcc 0
26 mol 126 unq 0 iso 0 dist 7.75534 9.46588 5.83002 6.0268 7.36017 5.94233 numMergedOcc 0
27 mol 126 unq 1 iso 0 dist 7.75534 9.46588 5.83002 8.01268 5.14819 8.56219 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 8.6243 8.71039 8.15392 7.92788 10.7802 8.92828 numMergedOcc 0
29 mol 131 unq 1 iso 0 dist 8.6243 8.71039 8.15392 8.23791 11.4282 5.56627 numMergedOcc 0
30 mol 131 unq 2 iso 0 dist 8.6243 6.92648 6.01893 7.92788 10.7802 5.44303 numMergedOcc 0
31 mol 131 unq 3 iso 0 dist 8.6243 6.92648 6.01893 8.23791 11.4282 8.50562 numMergedOcc 0
32 mol 131 unq 4 iso 0 dist 6.91348 9.29384 6.01893 13.1439 10.7802 5.44303 numMergedOcc 0
33 mol 131 unq 5 iso 0 dist 6.91348 9.29384 6.01893 13.7237 11.4282 8.50562 numMergedOcc 0
34 mol 131 unq 6 iso 0 dist 9.51418 9.29384 15.1974 13.1439 18.4174 5.44303 numMergedOcc 0
35 mol 131 unq 7 iso 0 dist 9.51418 9.29384 15.1974 13.7237 16.3398 8.50562 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 8.79571 8.20836 9.65798 4.57832 8.73604 9.30061 numMergedOcc 0
37 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 10.1386 9.40594 4.46777 numMergedOcc 0
38 mol 141 unq 1 iso 0 dist 6.93652 6.69515 8.00633 7.42649 5.26989 6.94988 numMergedOcc 0
39 mol 156 unq 0 iso 0 dist 7.36119 5.38091 5.33988 5.81563 6.05323 7.46845 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 9.52634 7.35824 6.05776 11.8693 10.5485 5.89564 numMergedOcc 0
41 mol 175 unq 1 iso 0 dist 9.52634 7.35824 6.05776 6.77832 8.99988 5.60528 numMergedOcc 0
42 mol 175 unq 2 iso 0 dist 9.52634 9.17364 5.85047 6.77832 8.99988 5.5995 numMergedOcc 0
43 mol 181 unq 0 iso 0 dist 6.94688 6.51749 10.4684 5.6044 10.3766 7.11785 numMergedOcc 0
44 mol 181 unq 1 iso 0 dist 6.71012 6.51749 12.69 5.6044 10.7723 7.11785 numMergedOcc 0
45 mol 194 unq 0 iso 0 dist 6.95408 6.96521 4.05564 5.43725 9.86703 7.74683 numMergedOcc 0
46 mol 194 unq 1 iso 0 dist 6.47873 6.26839 6.8278 11.6598 11.4415 5.68348 numMergedOcc 0
47 mol 194 unq 2 iso 0 dist 5.48258 8.83356 7.69247 7.11753 8.52969 5.68348 numMergedOcc 0
48 mol 194 unq 3 iso 0 dist 6.15769 8.83356 13.9521 7.11753 12.9874 5.68348 numMergedOcc 0
49 mol 194 unq 4 iso 0 dist 8.38695 8.2654 6.8278 12.8755 11.4415 5.68348 numMergedOcc 0
50 mol 204 unq 0 iso 0 dist 5.90931 6.85441 10.7974 5.86489 11.641 5.91727 numMergedOcc 0
51 mol 209 unq 0 iso 0 dist 9.52027 8.41195 9.02883 6.552 12.3767 7.97418 numMergedOcc 0
52 mol 218 unq 0 iso 0 dist 8.53199 5.76954 8.21424 7.84019 12.6212 8.3087 numMergedOcc 0
53 mol 218 unq 1 iso 0 dist 8.53199 6.29511 10.1198 7.84019 12.6212 9.32945 numMergedOcc 0
54 mol 220 unq 0 iso 0 dist 6.84247 5.45036 5.49803 7.11498 9.7334 5.37796 numMergedOcc 0
55 mol 220 unq 1 iso 0 dist 6.99002 5.45036 11.2241 7.11498 13.5801 5.37796 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 8.83563 5.87815 4.3387 6.67321 9.28891 7.95359 numMergedOcc 0
57 mol 253 unq 0 iso 0 dist 7.19465 7.77998 14.5407 5.78064 9.58354 8.15091 numMergedOcc 0
58 mol 257 unq 0 iso 0 dist 7.27505 9.69696 5.04668 6.74593 8.60481 9.43042 numMergedOcc 0
