REMARK Name = BDB022889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.119 -0.245 0.407 0.00 0.00 +0.216 A ATOM 2 N LIG 1 3.047 0.445 0.001 0.00 0.00 -0.218 NA ATOM 3 C LIG 1 1.837 0.065 0.470 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.637 0.855 -0.011 0.00 0.00 +0.163 C ATOM 5 N LIG 1 -0.662 0.313 0.418 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -0.701 -0.281 1.768 0.00 0.00 +0.078 C ATOM 7 C LIG 1 0.345 -1.406 1.872 0.00 0.00 +0.060 C ATOM 8 C LIG 1 -0.504 0.783 2.858 0.00 0.00 +0.028 C ATOM 9 C LIG 1 -1.749 0.551 -0.415 0.00 0.00 +0.220 C ATOM 10 O LIG 1 -1.628 1.254 -1.422 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 1.688 -0.978 1.368 0.00 0.00 -0.005 A ATOM 12 C LIG 1 2.850 -1.625 1.718 0.00 0.00 +0.120 A ATOM 13 N LIG 1 4.066 -1.274 1.261 0.00 0.00 -0.223 NA ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 -3.104 -0.080 -0.070 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.943 -0.309 -1.356 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.694 0.966 -1.818 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.390 1.684 -0.735 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -6.047 2.881 -1.262 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -4.460 2.038 0.338 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -3.854 0.778 0.956 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.825 -1.551 -1.210 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -6.106 -1.514 -0.644 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -6.865 -2.679 -0.515 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -6.355 -3.901 -0.946 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -5.081 -3.959 -1.504 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.321 -2.795 -1.633 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 9 14 BRANCH 1 27 ATOM 27 N LIG 1 5.332 0.171 -0.124 0.00 0.00 -0.308 N ATOM 28 H LIG 1 5.159 1.110 -0.469 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 6.433 0.090 0.816 0.00 0.00 +0.159 C BRANCH 29 34 ATOM 30 C LIG 1 10.009 0.748 -2.585 0.00 0.00 +0.086 C ATOM 31 C LIG 1 9.296 0.876 -1.292 0.00 0.00 +0.104 A ATOM 32 N LIG 1 8.087 0.274 -1.057 0.00 0.00 -0.345 N ATOM 33 H LIG 1 7.552 -0.284 -1.710 0.00 0.00 +0.167 HD ATOM 34 C LIG 1 7.702 0.585 0.223 0.00 0.00 +0.053 A ATOM 35 C LIG 1 8.721 1.367 0.714 0.00 0.00 +0.135 A ATOM 36 N LIG 1 9.700 1.541 -0.230 0.00 0.00 -0.241 NA ENDBRANCH 29 34 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 5