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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 0.13625 55 15 -0.3576231 0.2570671 -0.8977874 0.3795527 0.918393 0.1117768 0.8532558 -0.3007837 -0.426009 -0.84499 0.078199 -54.563
seed 0
mol 1
atom 1 - C ** - 0.05566096 -0.2198 -4.3501 1.7904 4 2 s 6 s 7 s 41 s
atom 2 - C ** - 0.2282004 0.7693 -4.8561 0.2971 3 1 s 3 s 39 d
atom 3 - C ** - -0.1027575 2.5799 -4.3818 -0.1931 2 2 s 4 s
atom 4 - C ** - 0.05075788 3.2798 -2.9042 0.7596 3 3 s 5 s 8 s
atom 5 - C ** - -0.05098438 2.449799 -3.3678 2.2798 4 4 s 6 s 13 s 14 s
atom 6 - C ** - 0.1070807 0.3172 -2.8463 2.2866 4 1 s 5 s 12 s 40 s
atom 7 - C ** - 0.04107761 -2.3486 -4.3453 1.6588 1 1 s
atom 8 - C ** - 0.317596 3.3311 -0.5463 0.1498 3 4 s 9 s 34 s
atom 9 - C ** - 0.08443213 1.4967 0.7696 -0.8219 3 8 s 10 s 15 s
atom 10 - C ** - 0.1354675 0.0082 2.1293 -0.0952 4 9 s 11 s 18 s 21 s
atom 11 - C ** - 0.1525741 -0.6142 0.8299 1.6673 3 10 s 12 s 26 s
atom 12 - C ** - 0.2044492 -0.9237 -1.4328 1.2239 3 6 s 11 s 27 s
atom 13 - C ** - 0.05678701 2.1955 -5.2356 2.554599 2 5 s 41 s
atom 14 - C ** - -0.1206207 3.9907 -3.1365 3.4765 1 5 s
atom 15 - C ** - -0.1418371 1.5775 0.8679 -2.6974 3 9 s 16 s 19 d
atom 16 - C ** - 0.1726599 0.4701 1.913 -3.6606 3 15 s 17 s 20 s
atom 17 - C ** - -0.1277366 -0.6311 2.8892 -2.631 2 16 s 18 s
atom 18 - C ** - -0.06321096 -1.0762 2.2968 -1.0727 3 10 s 17 s 22 s
atom 19 - C ** - -0.1610203 2.2494 -0.0442 -3.4763 1 15 d
atom 20 - O ** - -0.3535156 -0.391 1.1065 -4.5861 1 16 s
atom 21 - C ** - -0.1578913 -0.5747 4.8268 -0.7505 2 10 s 35 s
atom 22 - O ** - -0.2251344 -1.6193 1.0132 -1.1622 2 18 s 23 s
atom 23 - C ** - 0.3517396 -3.0721 1.0254 -1.2182 3 22 s 24 s 25 d
atom 24 - C ** - -0.1157384 -4.0155 1.9236 -0.2736 1 23 s
atom 25 - O ** - -0.3193583 -3.5758 0.3577 -2.1007 1 23 d
atom 26 - O ** - -0.3635292 -2.0571 1.1525 2.0163 2 11 s 28 s
atom 27 - O ** - -0.4608679 -1.5365 -1.9275 -0.5766 2 12 s 30 s
atom 28 - C ** - 0.3691421 -2.6418 1.6289 3.275 3 26 s 29 s 33 d
atom 29 - C ** - -0.1369438 -2.4824 3.1249 3.6535 2 28 s 50 s
atom 30 - C ** - 0.3712552 -2.9485 -2.8142 -1.503499 3 27 s 31 s 32 d
atom 31 - C ** - 0.01363444 -3.2283 -3.4521 -3.229 1 30 s
atom 32 - O ** - -0.3294249 -3.9757 -2.9854 -0.8506 1 30 d
atom 33 - O ** - -0.297966 -3.3446 0.882 3.9442 1 28 d
atom 34 - O ** - -0.5439358 4.5391 -0.8452 -0.9791 2 8 s 42 s
atom 35 - O ** - -0.2057328 0.1871 5.3932 -1.8163 2 21 s 36 s
atom 36 - C ** - 0.4740145 1.4541 4.7626 -1.588099 3 35 s 37 s 38 d
atom 37 - C ** - -0.1059728 1.6986 4.4062 -0.014 3 36 s 45 s 46 d
atom 38 - O ** - -0.305234 2.2688 4.6344 -2.5025 1 36 d
atom 39 - O ** - -0.3071871 0.2436 -5.7382 -0.3766 1 2 d
atom 40 - O ** - -0.302145 -0.0684 -2.7193 3.7297 1 6 s
atom 41 - O ** - -0.3076525 0.4709 -5.3576 2.8209 2 1 s 13 s
atom 42 - C ** - 0.4173994 5.8832 -0.4844 -1.894299 3 34 s 43 s 44 d
atom 43 - C ** - -0.03670597 6.9771 -1.6489 -2.4476 1 42 s
atom 44 - O ** - -0.3101044 6.0445 0.6547 -2.3364 1 42 d
atom 45 - C ** - -0.0524807 3.0618 4.4093 0.6265 2 37 s 49 d
atom 46 - C ** - -0.06270647 0.8928 4.2391 1.3979 2 37 d 48 s
atom 47 - C ** - -0.07255888 2.3089 4.682 3.2166 2 48 d 49 s
atom 48 - C ** - -0.1497869 1.1338 4.1961 2.8788 2 46 s 47 d
atom 49 - C ** - -0.1333766 3.2636 4.7527 2.0714 2 45 d 47 s
atom 50 - H ** - 0.07551271 -2.5902 3.250099 4.7597 1 29 s
endmol 1