REMARK Name = BDB035503 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.708 -1.149 -0.951 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.204 -0.446 0.149 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.721 0.393 0.864 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.169 -0.917 0.366 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.081 -0.511 1.324 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.350 -1.110 1.325 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.641 -2.115 0.370 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.700 -2.519 -0.598 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.457 -1.894 -0.578 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.267 -2.107 -1.458 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.176 0.155 -1.642 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.883 0.008 -1.103 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.999 -1.000 -1.529 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -2.430 -1.860 -2.545 0.00 0.00 +0.062 A ATOM 15 C LIG 1 -3.705 -1.726 -3.085 0.00 0.00 +0.125 A ATOM 16 F LIG 1 -4.100 -2.571 -4.047 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -4.577 -0.742 -2.642 0.00 0.00 +0.042 A BRANCH 11 18 ATOM 18 C LIG 1 -5.164 1.225 -1.177 0.00 0.00 +0.094 C BRANCH 18 21 ATOM 19 C LIG 1 -5.053 -0.894 1.266 0.00 0.00 +0.174 C ATOM 20 N LIG 1 -6.192 -0.202 0.722 0.00 0.00 -0.252 N ATOM 21 C LIG 1 -6.277 0.703 -0.310 0.00 0.00 +0.135 A ATOM 22 N LIG 1 -7.544 1.057 -0.445 0.00 0.00 -0.219 NA ATOM 23 C LIG 1 -8.188 0.347 0.521 0.00 0.00 +0.245 A ATOM 24 N LIG 1 -7.407 -0.440 1.256 0.00 0.00 -0.158 NA ENDBRANCH 18 21 BRANCH 18 25 ATOM 25 C LIG 1 -4.484 2.495 -0.662 0.00 0.00 +0.055 C ATOM 26 C LIG 1 -4.099 2.716 0.814 0.00 0.00 +0.166 C ATOM 27 O LIG 1 -4.637 4.064 0.771 0.00 0.00 -0.379 OA ATOM 28 C LIG 1 -5.385 3.724 -0.426 0.00 0.00 +0.166 C ENDBRANCH 18 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.018 -3.580 -1.617 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.145 -4.623 -1.558 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.260 -4.117 -1.486 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.941 -3.106 -2.890 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.386 -0.705 2.353 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 4.796 0.695 2.250 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 4.012 1.279 1.966 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.034 0.914 1.493 0.00 0.00 +0.017 C ATOM 37 C LIG 1 6.511 2.358 1.840 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.924 1.774 2.043 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.253 0.411 2.317 0.00 0.00 +0.022 C ATOM 40 C LIG 1 5.962 0.600 0.012 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8