0 mol 7 unq 0 iso 0 dist 7.5298 13.8023 8.94874 14.06 7.21217 5.77391 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.94874 13.8023 7.5298 5.77391 7.21217 14.06 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.58709 7.90905 7.53564 9.69698 9.74445 5.90113 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 7.53564 7.90905 8.58709 5.90113 9.74445 9.69698 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 5.62629 5.90603 6.15118 5.33255 9.70148 9.70697 numMergedOcc 0
5 mol 55 unq 0 iso 1 dist 6.15118 5.90603 5.62629 9.70697 9.70148 5.33255 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.84699 13.6926 7.53504 13.4367 6.89722 9.64124 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 7.53504 13.6926 7.84699 9.64124 6.89722 13.4367 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.40844 14.5875 7.02351 5.33851 9.68526 13.6586 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 7.02351 14.5875 8.40844 13.6586 9.68526 5.33851 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 8.40844 14.5875 7.02351 13.4367 7.26679 10.3774 numMergedOcc 0
11 mol 73 unq 2 iso 1 dist 7.02351 14.5875 8.40844 10.3774 7.26679 13.4367 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 8.40844 14.5875 7.02351 15.7164 9.30776 4.15333 numMergedOcc 0
13 mol 73 unq 3 iso 1 dist 7.02351 14.5875 8.40844 4.15333 9.30776 15.7164 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 8.40844 13.6926 8.66342 5.33851 9.68526 16.8585 numMergedOcc 0
15 mol 73 unq 4 iso 1 dist 8.66342 13.6926 8.40844 16.8585 9.68526 5.33851 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 8.40844 13.6926 8.66342 13.4367 7.26679 9.64124 numMergedOcc 0
17 mol 73 unq 5 iso 1 dist 8.66342 13.6926 8.40844 9.64124 7.26679 13.4367 numMergedOcc 0
18 mol 73 unq 6 iso 0 dist 8.40844 13.6926 8.66342 15.7164 9.30776 16.0481 numMergedOcc 0
19 mol 73 unq 6 iso 1 dist 8.66342 13.6926 8.40844 16.0481 9.30776 15.7164 numMergedOcc 0
20 mol 73 unq 7 iso 0 dist 6.99156 13.6926 7.21285 5.33851 9.72442 16.8585 numMergedOcc 0
21 mol 73 unq 7 iso 1 dist 7.21285 13.6926 6.99156 16.8585 9.72442 5.33851 numMergedOcc 0
22 mol 73 unq 8 iso 0 dist 6.99156 13.6926 7.21285 16.0086 9.02288 4.91508 numMergedOcc 0
23 mol 73 unq 8 iso 1 dist 7.21285 13.6926 6.99156 4.91508 9.02288 16.0086 numMergedOcc 0
24 mol 73 unq 4 iso 0 dist 7.02351 12.3241 8.66342 13.6586 9.68526 16.8585 numMergedOcc 0
25 mol 73 unq 4 iso 1 dist 8.66342 12.3241 7.02351 16.8585 9.68526 13.6586 numMergedOcc 0
26 mol 73 unq 5 iso 0 dist 7.02351 12.3241 8.66342 10.3774 7.26679 9.64124 numMergedOcc 0
27 mol 73 unq 5 iso 1 dist 8.66342 12.3241 7.02351 9.64124 7.26679 10.3774 numMergedOcc 0
28 mol 73 unq 6 iso 0 dist 7.02351 12.3241 8.66342 4.15333 9.30776 16.0481 numMergedOcc 0
29 mol 73 unq 6 iso 1 dist 8.66342 12.3241 7.02351 16.0481 9.30776 4.15333 numMergedOcc 0
30 mol 98 unq 0 iso 0 dist 7.26246 11.7765 8.6728 4.82943 7.38759 10.602 numMergedOcc 0
31 mol 98 unq 0 iso 1 dist 8.6728 11.7765 7.26246 10.602 7.38759 4.82943 numMergedOcc 0
32 mol 102 unq 0 iso 0 dist 9.61113 12.0662 7.73836 13.9809 9.01767 5.09542 numMergedOcc 0
33 mol 102 unq 0 iso 1 dist 7.73836 12.0662 9.61113 5.09542 9.01767 13.9809 numMergedOcc 0
34 mol 130 unq 0 iso 0 dist 8.26291 13.7304 7.86001 5.25879 8.54461 10.7254 numMergedOcc 0
35 mol 130 unq 0 iso 1 dist 7.86001 13.7304 8.26291 10.7254 8.54461 5.25879 numMergedOcc 0
36 mol 130 unq 1 iso 0 dist 8.26291 13.7304 7.86001 10.9365 7.83619 5.63567 numMergedOcc 0
37 mol 130 unq 1 iso 1 dist 7.86001 13.7304 8.26291 5.63567 7.83619 10.9365 numMergedOcc 0
38 mol 142 unq 0 iso 0 dist 5.1557 10.9934 9.5355 4.93017 8.48413 10.106 numMergedOcc 0
39 mol 142 unq 0 iso 1 dist 9.5355 10.9934 5.1557 10.106 8.48413 4.93017 numMergedOcc 0
40 mol 142 unq 1 iso 0 dist 5.1557 10.9934 9.5355 6.01403 7.57458 8.68855 numMergedOcc 0
41 mol 142 unq 1 iso 1 dist 9.5355 10.9934 5.1557 8.68855 7.57458 6.01403 numMergedOcc 0
42 mol 156 unq 0 iso 0 dist 6.67598 14.2743 8.34508 5.66289 7.30021 12.7636 numMergedOcc 0
43 mol 156 unq 0 iso 1 dist 8.34508 14.2743 6.67598 12.7636 7.30021 5.66289 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 8.21112 4.4482 7.06533 7.42296 7.07183 8.60418 numMergedOcc 0
45 mol 205 unq 0 iso 1 dist 7.06533 4.4482 8.21112 8.60418 7.07183 7.42296 numMergedOcc 0
46 mol 205 unq 1 iso 0 dist 8.21112 11.1418 5.94835 7.42296 7.07183 5.30941 numMergedOcc 0
47 mol 205 unq 1 iso 1 dist 5.94835 11.1418 8.21112 5.30941 7.07183 7.42296 numMergedOcc 0
48 mol 205 unq 1 iso 0 dist 7.06533 10.4273 5.94835 8.60418 7.07183 5.30941 numMergedOcc 0
49 mol 205 unq 1 iso 1 dist 5.94835 10.4273 7.06533 5.30941 7.07183 8.60418 numMergedOcc 0
50 mol 211 unq 0 iso 0 dist 9.45365 4.78922 7.15386 8.91121 8.63308 7.03173 numMergedOcc 0
51 mol 211 unq 0 iso 1 dist 7.15386 4.78922 9.45365 7.03173 8.63308 8.91121 numMergedOcc 0
52 mol 211 unq 1 iso 0 dist 9.45365 8.05917 7.73993 8.91121 8.63308 11.6621 numMergedOcc 0
53 mol 211 unq 1 iso 1 dist 7.73993 8.05917 9.45365 11.6621 8.63308 8.91121 numMergedOcc 0
54 mol 211 unq 1 iso 0 dist 7.15386 5.16245 7.73993 7.03173 8.63308 11.6621 numMergedOcc 0
55 mol 211 unq 1 iso 1 dist 7.73993 5.16245 7.15386 11.6621 8.63308 7.03173 numMergedOcc 0
56 mol 220 unq 0 iso 0 dist 7.96759 14.7376 8.94384 16.2851 8.48112 10.3576 numMergedOcc 0
57 mol 220 unq 0 iso 1 dist 8.94384 14.7376 7.96759 10.3576 8.48112 16.2851 numMergedOcc 0
58 mol 224 unq 0 iso 0 dist 7.7163 5.51581 9.06201 11.8217 9.34636 11.9904 numMergedOcc 0
59 mol 224 unq 0 iso 1 dist 9.06201 5.51581 7.7163 11.9904 9.34636 11.8217 numMergedOcc 0
60 mol 224 unq 1 iso 0 dist 7.7163 5.51581 9.06201 10.8463 9.79616 13.0574 numMergedOcc 0
61 mol 224 unq 1 iso 1 dist 9.06201 5.51581 7.7163 13.0574 9.79616 10.8463 numMergedOcc 0
62 mol 230 unq 0 iso 0 dist 5.00735 10.6003 9.27643 6.33989 8.43766 6.63414 numMergedOcc 0
63 mol 230 unq 0 iso 1 dist 9.27643 10.6003 5.00735 6.63414 8.43766 6.33989 numMergedOcc 0
64 mol 232 unq 0 iso 0 dist 7.33708 9.5675 4.46314 11.4953 8.68464 5.20266 numMergedOcc 0
65 mol 232 unq 0 iso 1 dist 4.46314 9.5675 7.33708 5.20266 8.68464 11.4953 numMergedOcc 0
66 mol 252 unq 0 iso 0 dist 8.04265 7.56661 9.42193 14.8036 9.73021 14.864 numMergedOcc 0
67 mol 252 unq 0 iso 1 dist 9.42193 7.56661 8.04265 14.864 9.73021 14.8036 numMergedOcc 0
68 mol 274 unq 0 iso 0 dist 7.59956 11.2805 8.05503 4.89399 7.79904 10.9974 numMergedOcc 0
69 mol 274 unq 0 iso 1 dist 8.05503 11.2805 7.59956 10.9974 7.79904 4.89399 numMergedOcc 0
70 mol 274 unq 1 iso 0 dist 7.59956 11.2805 8.05503 11.3084 9.02749 16.897 numMergedOcc 0
71 mol 274 unq 1 iso 1 dist 8.05503 11.2805 7.59956 16.897 9.02749 11.3084 numMergedOcc 0
72 mol 274 unq 2 iso 0 dist 7.59956 10.1205 5.59151 4.89399 7.79904 7.60191 numMergedOcc 0
73 mol 274 unq 2 iso 1 dist 5.59151 10.1205 7.59956 7.60191 7.79904 4.89399 numMergedOcc 0
74 mol 274 unq 3 iso 0 dist 7.59956 10.1205 5.59151 11.3084 9.02749 13.8866 numMergedOcc 0
75 mol 274 unq 3 iso 1 dist 5.59151 10.1205 7.59956 13.8866 9.02749 11.3084 numMergedOcc 0
76 mol 274 unq 2 iso 0 dist 8.05503 6.61591 5.59151 10.9974 7.79904 7.60191 numMergedOcc 0
77 mol 274 unq 2 iso 1 dist 5.59151 6.61591 8.05503 7.60191 7.79904 10.9974 numMergedOcc 0
78 mol 274 unq 3 iso 0 dist 8.05503 6.61591 5.59151 16.897 9.02749 13.8866 numMergedOcc 0
79 mol 274 unq 3 iso 1 dist 5.59151 6.61591 8.05503 13.8866 9.02749 16.897 numMergedOcc 0
80 mol 274 unq 4 iso 0 dist 7.24089 7.42692 9.29005 5.56999 6.00877 10.2696 numMergedOcc 0
81 mol 274 unq 4 iso 1 dist 9.29005 7.42692 7.24089 10.2696 6.00877 5.56999 numMergedOcc 0
82 mol 274 unq 5 iso 0 dist 9.96645 7.90361 9.2447 6.04536 9.696 6.12463 numMergedOcc 0
83 mol 274 unq 5 iso 1 dist 9.2447 7.90361 9.96645 6.12463 9.696 6.04536 numMergedOcc 0
