REMARK Name = BDB038362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.635 0.742 0.848 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -1.845 1.855 0.011 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -0.763 2.285 -0.745 0.00 0.00 +0.141 A ATOM 4 N LIG 1 -1.165 3.357 -1.494 0.00 0.00 -0.346 N ATOM 5 H LIG 1 -0.557 3.860 -2.125 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 -2.487 3.627 -1.248 0.00 0.00 +0.085 A ATOM 7 N LIG 1 0.476 1.772 -0.771 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 0.672 0.726 0.069 0.00 0.00 +0.131 A ATOM 9 C LIG 1 -2.935 2.713 -0.318 0.00 0.00 +0.029 A ATOM 10 C LIG 1 -0.339 0.193 0.867 0.00 0.00 +0.053 A ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 1.978 0.193 0.083 0.00 0.00 -0.248 N ATOM 12 C LIG 1 2.491 -0.783 0.926 0.00 0.00 +0.253 C ATOM 13 O LIG 1 1.987 -1.387 1.853 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 3.889 -0.991 0.523 0.00 0.00 +0.042 A ATOM 15 C LIG 1 4.817 -1.872 1.044 0.00 0.00 +0.013 A ATOM 16 C LIG 1 6.092 -1.872 0.479 0.00 0.00 +0.001 A ATOM 17 C LIG 1 6.406 -1.000 -0.581 0.00 0.00 +0.013 A ATOM 18 C LIG 1 5.450 -0.105 -1.101 0.00 0.00 +0.060 A ATOM 19 C LIG 1 4.183 -0.121 -0.524 0.00 0.00 -0.006 A ATOM 20 C LIG 1 2.973 0.697 -0.848 0.00 0.00 +0.151 C BRANCH 18 21 ATOM 21 C LIG 1 5.775 0.831 -2.233 0.00 0.00 +0.418 C ATOM 22 F LIG 1 5.600 2.137 -1.888 0.00 0.00 -0.166 F ATOM 23 F LIG 1 4.980 0.625 -3.318 0.00 0.00 -0.166 F ATOM 24 F LIG 1 7.056 0.729 -2.680 0.00 0.00 -0.166 F ENDBRANCH 18 21 ENDBRANCH 8 11 BRANCH 1 26 ATOM 25 C LIG 1 -3.285 -1.085 1.442 0.00 0.00 +0.027 A ATOM 26 C LIG 1 -2.734 0.200 1.657 0.00 0.00 -0.006 A ATOM 27 C LIG 1 -3.244 0.975 2.719 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -4.262 0.497 3.546 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -4.785 -0.773 3.337 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.296 -1.561 2.296 0.00 0.00 +0.012 A BRANCH 25 33 ATOM 31 C LIG 1 -3.700 -0.702 -1.650 0.00 0.00 +0.152 C ATOM 32 N LIG 1 -3.014 -1.773 -0.980 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -2.841 -1.972 0.367 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -2.253 -3.145 0.531 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 -1.998 -3.686 -0.707 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 -2.458 -2.849 -1.603 0.00 0.00 +0.225 A ENDBRANCH 25 33 ENDBRANCH 1 26 TORSDOF 4