REMARK Name = BDB035588 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.124 0.957 -0.309 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.579 0.081 0.525 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.201 -0.825 1.243 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.000 0.434 0.418 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.085 -0.155 1.042 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.358 0.364 0.772 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.491 1.457 -0.120 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.376 2.046 -0.745 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.126 1.508 -0.455 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.775 1.904 -0.955 0.00 0.00 +0.150 C ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -3.491 1.996 -1.603 0.00 0.00 +0.029 A ATOM 12 C LIG 1 -4.304 1.075 -0.935 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.792 0.064 -0.094 0.00 0.00 -0.030 A ATOM 14 C LIG 1 -2.388 0.046 0.074 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -1.531 0.978 -0.525 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -2.112 1.948 -1.355 0.00 0.00 +0.046 A BRANCH 13 17 ATOM 17 C LIG 1 -4.726 -1.026 0.655 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -4.637 -1.027 2.227 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.867 -0.093 2.238 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -6.247 -0.716 0.875 0.00 0.00 +0.051 C BRANCH 17 21 ATOM 21 C LIG 1 -4.510 -2.460 0.020 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.715 -2.838 -1.280 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.167 -2.031 -2.377 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.402 -4.161 -1.342 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.034 -4.581 -0.156 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.099 -3.509 0.702 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 O LIG 1 -6.799 -0.301 3.319 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -7.955 0.522 3.308 0.00 0.00 +0.194 C ENDBRANCH 19 27 ENDBRANCH 13 17 BRANCH 11 30 ATOM 29 C LIG 1 -5.342 2.987 -2.911 0.00 0.00 +0.125 C ATOM 30 N LIG 1 -3.990 3.039 -2.388 0.00 0.00 -0.347 N ATOM 31 H LIG 1 -3.313 3.370 -3.072 0.00 0.00 +0.146 HD ENDBRANCH 11 30 ENDBRANCH 1 15 BRANCH 8 32 ATOM 32 C LIG 1 3.520 3.200 -1.699 0.00 0.00 +0.418 C ATOM 33 F LIG 1 2.767 4.272 -1.326 0.00 0.00 -0.166 F ATOM 34 F LIG 1 4.793 3.661 -1.826 0.00 0.00 -0.166 F ATOM 35 F LIG 1 3.105 2.882 -2.957 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.588 -0.245 1.408 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.384 -0.937 0.395 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.830 -1.712 0.027 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.713 -1.343 0.890 0.00 0.00 +0.017 C ATOM 40 C LIG 1 8.677 -0.123 0.868 0.00 0.00 +0.022 C ATOM 41 C LIG 1 9.014 -0.457 -0.600 0.00 0.00 +0.004 C ATOM 42 C LIG 1 8.501 -1.887 -0.339 0.00 0.00 +0.022 C ATOM 43 C LIG 1 7.702 -2.253 2.100 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9