REMARK Name = LIG000790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.401 3.796 1.145 0.00 0.00 +0.129 A ATOM 2 C LIG 1 -3.290 3.093 2.359 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -4.116 3.482 3.424 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -5.036 4.524 3.273 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -5.146 5.191 2.053 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -4.332 4.824 0.984 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -2.340 1.989 2.525 0.00 0.00 -0.009 A ATOM 8 C LIG 1 -2.556 0.740 1.954 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -3.702 0.262 1.124 0.00 0.00 +0.145 C ATOM 10 N LIG 1 -3.342 -1.123 0.843 0.00 0.00 -0.282 N ATOM 11 C LIG 1 -2.082 -1.440 1.328 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -1.445 -2.459 1.141 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -1.609 -0.276 2.083 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -0.423 -0.115 2.772 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -0.195 1.126 3.364 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -1.141 2.163 3.243 0.00 0.00 +0.009 A BRANCH 10 17 ATOM 17 C LIG 1 -3.968 -1.907 -0.215 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -3.578 -1.377 -1.606 0.00 0.00 +0.240 C ATOM 19 O LIG 1 -2.666 -0.579 -1.810 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 -4.330 -1.860 -2.653 0.00 0.00 -0.255 N ATOM 21 H LIG 1 -4.081 -1.496 -3.563 0.00 0.00 +0.158 HD ATOM 22 C LIG 1 -5.604 -2.362 -2.565 0.00 0.00 +0.219 C ATOM 23 O LIG 1 -6.322 -2.440 -3.557 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -6.055 -2.828 -1.201 0.00 0.00 +0.098 C ATOM 25 C LIG 1 -5.489 -1.942 -0.102 0.00 0.00 +0.041 C ENDBRANCH 10 17 ENDBRANCH 2 7 BRANCH 1 26 ATOM 26 O LIG 1 -2.612 3.426 0.083 0.00 0.00 -0.482 OA BRANCH 26 27 ATOM 27 C LIG 1 -1.609 4.415 -0.179 0.00 0.00 +0.326 C BRANCH 27 30 ATOM 28 N LIG 1 -0.315 2.413 -0.675 0.00 0.00 -0.204 N ATOM 29 H LIG 1 -1.194 1.932 -0.501 0.00 0.00 +0.177 HD ATOM 30 C LIG 1 -0.268 3.792 -0.565 0.00 0.00 +0.270 C ATOM 31 O LIG 1 0.726 4.493 -0.749 0.00 0.00 -0.270 OA BRANCH 28 33 ATOM 32 C LIG 1 0.661 0.413 -0.944 0.00 0.00 +0.138 C ATOM 33 N LIG 1 0.818 1.698 -0.915 0.00 0.00 -0.188 NA BRANCH 32 36 ATOM 34 C LIG 1 3.549 1.248 -1.579 0.00 0.00 +0.044 C ATOM 35 C LIG 1 3.098 -0.183 -1.455 0.00 0.00 -0.038 A ATOM 36 C LIG 1 1.770 -0.547 -1.163 0.00 0.00 -0.002 A ATOM 37 C LIG 1 1.428 -1.902 -1.050 0.00 0.00 +0.013 A ATOM 38 C LIG 1 2.395 -2.892 -1.229 0.00 0.00 +0.046 A ATOM 39 C LIG 1 3.711 -2.551 -1.532 0.00 0.00 +0.121 A ATOM 40 C LIG 1 4.058 -1.202 -1.633 0.00 0.00 +0.049 A BRANCH 39 41 ATOM 41 O LIG 1 4.558 -3.615 -1.675 0.00 0.00 -0.487 OA BRANCH 41 42 ATOM 42 C LIG 1 5.826 -3.391 -2.298 0.00 0.00 +0.264 C BRANCH 42 43 ATOM 43 C LIG 1 6.911 -2.982 -1.325 0.00 0.00 -0.010 A ATOM 44 C LIG 1 7.980 -2.188 -1.767 0.00 0.00 +0.007 A ATOM 45 C LIG 1 9.003 -1.824 -0.890 0.00 0.00 +0.000 A ATOM 46 C LIG 1 8.976 -2.259 0.433 0.00 0.00 +0.000 A ATOM 47 C LIG 1 7.928 -3.061 0.880 0.00 0.00 +0.000 A ATOM 48 C LIG 1 6.904 -3.426 0.005 0.00 0.00 +0.007 A ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 39 41 ENDBRANCH 32 36 ENDBRANCH 28 33 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 10