0 mol 0 unq 0 iso 0 dist 9.94618 6.94181 14.0556 5.47921 15.3785 7.15528 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.58865 7.32392 8.54694 15.5277 13.7966 9.60499 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.0323 7.15434 5.70161 11.2706 12.2471 7.10621 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 8.79533 9.31271 16.5607 10.3326 18.2908 9.04767 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 7.65729 8.4361 5.64581 5.39064 6.29703 4.86568 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 7.72142 6.28033 5.59769 5.40044 8.47315 4.7319 numMergedOcc 0
6 mol 16 unq 2 iso 0 dist 8.46837 6.84569 6.43294 5.46269 9.79958 5.46498 numMergedOcc 0
7 mol 18 unq 0 iso 0 dist 6.72533 6.39243 4.96555 15.2831 13.7283 9.51761 numMergedOcc 0
8 mol 18 unq 1 iso 0 dist 6.72533 6.39243 4.96555 9.30561 11.0264 7.3094 numMergedOcc 0
9 mol 18 unq 2 iso 0 dist 8.29216 9.1715 4.96555 17.8306 13.7283 9.51761 numMergedOcc 0
10 mol 18 unq 3 iso 0 dist 8.29216 9.1715 4.96555 14.3582 11.0264 7.3094 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 5.90113 9.74445 8.80331 numMergedOcc 0
12 mol 52 unq 0 iso 0 dist 9.67023 5.26018 6.86126 12.8491 15.6506 9.80098 numMergedOcc 0
13 mol 52 unq 1 iso 0 dist 9.67023 5.26018 6.86126 10.3287 12.0739 7.34143 numMergedOcc 0
14 mol 52 unq 2 iso 0 dist 6.86785 7.1203 6.55558 5.92851 11.8328 9.80098 numMergedOcc 0
15 mol 52 unq 3 iso 0 dist 6.86785 7.1203 6.55558 6.03647 9.90304 7.34143 numMergedOcc 0
16 mol 54 unq 0 iso 0 dist 6.10175 6.54183 10.1356 5.65405 5.59773 8.10861 numMergedOcc 0
17 mol 72 unq 0 iso 0 dist 8.71615 6.7212 5.46166 11.6369 15.4232 9.96708 numMergedOcc 0
18 mol 72 unq 1 iso 0 dist 8.71615 6.7212 5.46166 6.12361 13.8194 9.78528 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 7.84699 6.10011 8.04817 8.3449 11.905 5.93252 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 numMergedOcc 0
21 mol 73 unq 2 iso 0 dist 8.40844 6.10011 9.76331 8.3449 14.8258 5.93252 numMergedOcc 0
22 mol 73 unq 3 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 numMergedOcc 0
23 mol 73 unq 4 iso 0 dist 6.99156 6.10011 10.4402 8.3449 14.0323 5.93252 numMergedOcc 0
24 mol 73 unq 5 iso 0 dist 6.99156 8.124 8.0624 13.4367 10.1503 6.19304 numMergedOcc 0
25 mol 73 unq 6 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 numMergedOcc 0
26 mol 75 unq 0 iso 0 dist 8.47302 8.2147 5.4217 13.5815 13.0997 7.79912 numMergedOcc 0
27 mol 78 unq 0 iso 0 dist 9.68277 5.57265 10.1493 5.58109 13.4136 7.9245 numMergedOcc 0
28 mol 90 unq 0 iso 0 dist 8.39015 8.44515 10.4263 6.1985 12.6828 5.83409 numMergedOcc 0
29 mol 102 unq 0 iso 0 dist 7.73836 9.84673 6.42572 5.09542 9.01767 7.36792 numMergedOcc 0
30 mol 109 unq 0 iso 0 dist 9.2046 7.51061 10.6667 5.29855 13.1633 7.34473 numMergedOcc 0
31 mol 115 unq 0 iso 0 dist 8.16113 6.04412 5.71451 5.24229 8.81562 4.99221 numMergedOcc 0
32 mol 117 unq 0 iso 0 dist 5.24519 8.81172 6.29427 5.34484 7.70533 9.84395 numMergedOcc 0
33 mol 117 unq 1 iso 0 dist 8.30003 7.0318 10.4589 8.12649 12.1493 9.84395 numMergedOcc 0
34 mol 117 unq 2 iso 0 dist 8.30003 7.0318 10.4589 5.21051 9.85576 7.90328 numMergedOcc 0
35 mol 119 unq 0 iso 0 dist 7.26463 8.88255 9.35307 10.5726 15.5753 8.73993 numMergedOcc 0
36 mol 125 unq 0 iso 0 dist 9.64304 6.03557 9.19339 5.14495 14.6763 8.62381 numMergedOcc 0
37 mol 126 unq 0 iso 0 dist 9.40608 6.24392 7.01529 5.50061 9.54928 6.06638 numMergedOcc 0
38 mol 131 unq 0 iso 0 dist 7.8034 9.33945 8.25445 12.3624 11.439 8.40312 numMergedOcc 0
39 mol 142 unq 0 iso 0 dist 9.5355 7.15087 13.1936 8.68855 7.57458 9.2313 numMergedOcc 0
40 mol 142 unq 1 iso 0 dist 9.5355 7.15087 13.1936 5.50176 10.5524 5.31024 numMergedOcc 0
41 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 5.66289 7.30021 7.44554 numMergedOcc 0
42 mol 156 unq 1 iso 0 dist 6.67598 7.11647 5.75141 5.59399 10.6034 7.66148 numMergedOcc 0
43 mol 156 unq 2 iso 0 dist 6.67598 7.11647 5.75141 5.66289 7.30021 8.94056 numMergedOcc 0
44 mol 156 unq 3 iso 0 dist 8.98636 9.19499 8.58765 5.66289 12.0043 7.44554 numMergedOcc 0
45 mol 156 unq 4 iso 0 dist 8.98636 7.11647 5.6208 5.59399 10.2601 7.66148 numMergedOcc 0
46 mol 156 unq 5 iso 0 dist 8.98636 7.11647 5.6208 5.66289 12.0043 8.94056 numMergedOcc 0
47 mol 156 unq 6 iso 0 dist 8.79185 9.19499 9.07974 5.66289 10.0734 7.44554 numMergedOcc 0
48 mol 156 unq 7 iso 0 dist 8.79185 7.11647 5.70205 5.59399 6.71202 7.66148 numMergedOcc 0
49 mol 156 unq 8 iso 0 dist 8.79185 7.11647 5.70205 5.66289 10.0734 8.94056 numMergedOcc 0
50 mol 156 unq 9 iso 0 dist 9.04176 9.68507 4.08699 9.75709 10.543 7.66148 numMergedOcc 0
51 mol 156 unq 10 iso 0 dist 9.41152 7.98018 4.7382 4.68187 12.6493 9.83699 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 8.03259 8.90247 6.94401 5.114 11.2315 9.1374 numMergedOcc 0
53 mol 181 unq 1 iso 0 dist 8.03259 8.90247 6.94401 14.0828 14.2663 8.03334 numMergedOcc 0
54 mol 209 unq 0 iso 0 dist 8.65539 6.14896 7.49966 9.80484 14.3923 7.56373 numMergedOcc 0
55 mol 220 unq 0 iso 0 dist 8.58709 6.21273 4.90657 5.1021 9.8711 9.23153 numMergedOcc 0
56 mol 220 unq 1 iso 0 dist 8.58709 6.21273 4.90657 6.29601 12.6756 8.24498 numMergedOcc 0
57 mol 222 unq 0 iso 0 dist 7.10689 8.7419 8.81265 5.01062 8.7347 6.00706 numMergedOcc 0
58 mol 222 unq 1 iso 0 dist 7.10689 8.5834 4.28891 5.01062 8.7347 7.54212 numMergedOcc 0
59 mol 224 unq 0 iso 0 dist 8.68767 9.73411 14.3302 14.1073 20.6047 8.95269 numMergedOcc 0
60 mol 224 unq 1 iso 0 dist 8.68767 9.73411 14.3302 9.81806 15.9877 6.57273 numMergedOcc 0
61 mol 224 unq 2 iso 0 dist 8.68767 9.73411 14.3302 5.99647 12.7282 5.78342 numMergedOcc 0
62 mol 224 unq 3 iso 0 dist 8.68767 7.75485 9.74911 5.99647 12.7282 5.81334 numMergedOcc 0
63 mol 224 unq 4 iso 0 dist 7.7163 7.07564 5.63485 11.8217 9.34636 8.95269 numMergedOcc 0
64 mol 224 unq 5 iso 0 dist 7.7163 7.07564 5.63485 10.8463 9.79616 6.57273 numMergedOcc 0
65 mol 224 unq 6 iso 0 dist 7.7163 7.07564 5.63485 5.44863 10.0081 5.78342 numMergedOcc 0
66 mol 224 unq 7 iso 0 dist 7.7163 9.11052 10.3532 5.44863 10.0081 5.81334 numMergedOcc 0
67 mol 224 unq 8 iso 0 dist 9.2 7.07564 4.8786 11.8217 12.8171 8.95269 numMergedOcc 0
68 mol 224 unq 9 iso 0 dist 9.2 7.07564 4.8786 10.8463 11.1052 6.57273 numMergedOcc 0
69 mol 224 unq 10 iso 0 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 numMergedOcc 0
70 mol 224 unq 11 iso 0 dist 9.2 9.11052 6.38066 5.44863 9.29703 5.81334 numMergedOcc 0
71 mol 227 unq 0 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 numMergedOcc 0
72 mol 230 unq 0 iso 0 dist 5.00735 5.62804 7.07028 6.33989 8.43766 6.7547 numMergedOcc 0
73 mol 230 unq 1 iso 0 dist 6.73755 5.62804 5.26217 6.33989 10.6474 6.7547 numMergedOcc 0
74 mol 231 unq 0 iso 0 dist 6.73226 8.91036 11.548 10.613 16.203 7.37839 numMergedOcc 0
75 mol 239 unq 0 iso 0 dist 4.21935 6.83046 5.29737 4.77446 6.37342 6.16342 numMergedOcc 0
76 mol 253 unq 0 iso 0 dist 9.35766 7.26981 9.56248 9.23512 14.8393 7.32223 numMergedOcc 0
77 mol 253 unq 1 iso 0 dist 9.35766 7.26981 9.56248 10.8952 17.3894 8.31064 numMergedOcc 0
78 mol 256 unq 0 iso 0 dist 8.11884 5.98967 9.07441 6.64029 14.2736 8.29103 numMergedOcc 0
79 mol 258 unq 0 iso 0 dist 6.59521 8.21585 9.22664 5.13233 8.58088 6.42289 numMergedOcc 0
80 mol 259 unq 0 iso 0 dist 7.4294 5.75874 6.9607 5.20592 10.3594 8.53687 numMergedOcc 0
81 mol 259 unq 1 iso 0 dist 8.37253 5.75874 6.68041 5.20592 12.6542 8.53687 numMergedOcc 0
82 mol 261 unq 0 iso 0 dist 9.56414 9.95681 4.50761 5.79827 10.2386 8.02547 numMergedOcc 0
83 mol 261 unq 1 iso 0 dist 9.56414 9.05762 8.80293 5.79827 10.2386 6.05727 numMergedOcc 0
84 mol 265 unq 0 iso 0 dist 5.10595 5.3051 5.11366 11.4819 12.3211 8.4218 numMergedOcc 0
85 mol 274 unq 0 iso 0 dist 8.99974 8.78883 8.19222 7.48637 14.4561 9.10818 numMergedOcc 0
86 mol 274 unq 1 iso 0 dist 5.68643 8.78883 4.97216 7.48637 9.91395 9.10818 numMergedOcc 0
87 mol 274 unq 2 iso 0 dist 8.36043 8.78883 10.2686 7.48637 13.4473 9.10818 numMergedOcc 0
88 mol 280 unq 0 iso 0 dist 9.047 8.80588 14.1091 8.30978 16.7212 6.53701 numMergedOcc 0
89 mol 280 unq 1 iso 0 dist 9.047 8.80588 14.1091 5.80223 13.1827 6.0664 numMergedOcc 0
90 mol 280 unq 2 iso 0 dist 9.9227 8.80588 4.95798 8.30978 11.1402 6.53701 numMergedOcc 0
91 mol 280 unq 3 iso 0 dist 9.9227 8.80588 4.95798 5.80223 8.85762 6.0664 numMergedOcc 0
