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© September 2007; August 2010 Lorentz JÄNTSCHI && Sorana Daniela BOLBOACĂ

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forcefield mm+
sys 0 0 1
view 40 0.083016 65.5 25.5 -0.6916704 0.6310982 0.3511512 0.2377448 0.6580804 -0.7144282 -0.68196 -0.4106645 -0.605215 -0.54068 -0.64887 -66.753
seed 0
mol 1
atom 1 - C ** - -1.997017 1.2198 1.4493 -0.2686 3 2 d 6 s 35 s
atom 2 - C ** - 3.997148 0.6765 3.213 -0.7134 3 1 d 3 s 16 s
atom 3 - C ** - 3.999728 1.561799 5.1307 -0.1852 4 2 s 4 s 24 s 25 s
atom 4 - C ** - 3.999995 3.675799 2.871 -2.0036 4 3 s 5 s 7 s 8 s
atom 5 - C ** - 3.998136 4.2358 0.4823 -2.367 2 4 s 6 s
atom 6 - C ** - -2.000319 3.0124 0.0313 -0.8812 3 1 s 5 s 17 s
atom 7 - O ** - 6 5.3826 3.4294 -1.5662 1 4 s
atom 8 - C ** - 3.999999 2.9264 2.8602 -2.9167 3 4 s 9 s 31 s
atom 9 - C ** - 4 3.5369 4.0563 -3.599199 3 8 s 10 s 14 s
atom 10 - C ** - 4 5.804 3.8226 -4.3141 4 9 s 11 s 27 s 60 s
atom 11 - C ** - 4 5.2656 5.6223 -5.1015 3 10 s 12 s 26 s
atom 12 - C ** - 4 4.0494 7.0764 -3.1972 2 11 s 13 s
atom 13 - C ** - 4 1.7972 6.4319 -3.5204 3 12 s 14 s 32 s
atom 14 - C ** - 4 1.439 4.6308 -4.059199 4 9 s 13 s 15 s 61 s
atom 15 - C ** - 3.999905 -0.7123 4.8326 -2.0122 3 14 s 16 s 33 d
atom 16 - C ** - 3.987411 -1.077 3.6829 -1.3282 3 2 s 15 s 34 s
atom 17 - O ** - -1.999937 3.8493 -0.5449 0.5053 2 6 s 18 s
atom 18 - C ** - -4 2.8007 -1.495 1.4504 3 17 s 19 s 36 d
atom 19 - C ** - -4 2.6978 -1.178 3.0552 3 18 s 20 s 37 s
atom 20 - C ** - -4 1.1859 -1.7667 3.7323 3 19 s 21 s 22 s
atom 21 - C ** - -4 1.2961 -2.4256 5.4938 3 20 s 39 d 43 s
atom 22 - N ** - -3 -0.0388999 -0.6038 3.4477 3 20 s 23 s 63 s
atom 23 - C ** - -4 -1.5772 -0.9763 3.0784 3 22 s 38 d 55 s
atom 24 - C ** - 3.839041 1.173 5.4206 1.9893 1 3 s
atom 25 - C ** - 3.999923 0.5646 7.2485 0.2854 2 3 s 62 s
atom 26 - O ** - 6 6.7622 5.9391 -5.2622 2 11 s 60 s
atom 27 - O ** - 6 5.7913 2.0533 -5.3297 2 10 s 28 s
atom 28 - C ** - 4 4.562 1.2748 -6.5186 3 27 s 29 s 30 d
atom 29 - C ** - 3.999999 3.5745 -0.4936 -6.4714 1 28 s
atom 30 - O ** - 6 4.3614 1.9811 -7.5638 1 28 d
atom 31 - O ** - 5.999944 1.6068 1.020899 -3.6719 2 8 s 44 s
atom 32 - O ** - 6 0.5426 7.465 -4.4314 1 13 s
atom 33 - O ** - 5.99999 -1.3323 6.0374 -1.4778 1 15 d
atom 34 - O ** - 2.024283 -2.3791 3.5989 -2.7133 2 16 s 52 s
atom 35 - C ** - -3.999863 -0.2634 0.9427 0.6745 1 1 s
atom 36 - O ** - -2 2.1869 -2.5334 0.8943 1 18 d
atom 37 - O ** - -2 3.9849 -1.9355 3.6131 1 19 s
atom 38 - O ** - -2 -2.4596 -0.0187 3.1372 1 23 d
atom 39 - C ** - -4 0.7015 -3.7108 5.830999 2 21 d 40 s
atom 40 - C ** - -4 -0.1616 -3.9095 6.9886 2 39 s 41 d
atom 41 - C ** - -4 0.347 -3.3867 8.4207 2 40 d 42 s
atom 42 - C ** - -4 1.3564 -2.033799 8.4126 2 41 s 43 d
atom 43 - C ** - -4 2.0861 -1.7198 7.0889 2 21 s 42 d
atom 44 - C ** - -2.040155 -0.7868 0.9115 -4.6414 3 31 s 45 s 51 d
atom 45 - C ** - -3.999996 -3.9557 1.4072 -4.0435 3 44 s 46 d 50 s
atom 46 - C ** - -4 -4.9279 0.8528 -5.3356 2 45 d 47 s
atom 47 - C ** - -4 -4.3521 -1.0144 -5.5672 2 46 s 48 d
atom 48 - C ** - -4 -3.1019 -1.452799 -4.4161 2 47 d 49 s
atom 49 - C ** - -4 -2.9501 -0.272 -2.754299 2 48 s 50 d
atom 50 - C ** - -3.999982 -3.8573 1.45 -2.9208 2 45 s 49 d
atom 51 - O ** - -1.959732 -0.6315 0.196 -5.7521 1 44 d
atom 52 - C ** - -3.998059 -4.2034 4.4177 -1.4708 3 34 s 53 s 54 d
atom 53 - C ** - -4 -5.6157 3.2386 -0.0315 1 52 s
atom 54 - O ** - -1.999981 -4.3888 5.6781 -1.461 1 52 d
atom 55 - C ** - -4 -2.1991 -2.6475 2.7297 2 23 s 56 s
atom 56 - C ** - -4 -2.8979 -2.9682 4.5086 2 55 s 57 s
atom 57 - C ** - -4 -3.5225 -4.6157 3.8344 2 56 s 58 s
atom 58 - C ** - -4 -4.6888 -5.4058 5.1775 2 57 s 59 s
atom 59 - C ** - -4 -4.4275 -7.1567 4.0125 1 58 s
atom 60 - C ** - 4 7.3303 4.6724 -3.7962 2 10 s 26 s
atom 61 - C ** - 4 1.7042 3.5326 -5.5877 1 14 s
atom 62 - O ** - 6 0.7791 8.3695 -0.8457 1 25 s
atom 63 - H ** - -1 0.2462 0.4391 3.4183 1 22 s
endmol 1