REMARK Name = BDB010937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.218 1.801 -0.865 0.00 0.00 -0.281 N ATOM 2 H LIG 1 -0.219 2.432 -1.661 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -1.415 1.141 -0.730 0.00 0.00 +0.252 C ATOM 4 O LIG 1 -2.418 1.539 -1.321 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -1.524 -0.106 0.043 0.00 0.00 +0.083 A ATOM 6 C LIG 1 -0.694 -1.191 -0.178 0.00 0.00 +0.185 A ATOM 7 O LIG 1 0.322 -1.280 -1.080 0.00 0.00 -0.395 OA ATOM 8 C LIG 1 0.783 -2.609 -0.822 0.00 0.00 +0.589 C ATOM 9 O LIG 1 0.066 -3.305 0.206 0.00 0.00 -0.395 OA ATOM 10 F LIG 1 0.700 -3.326 -1.968 0.00 0.00 -0.125 F ATOM 11 F LIG 1 2.092 -2.549 -0.474 0.00 0.00 -0.125 F ATOM 12 C LIG 1 -0.847 -2.353 0.543 0.00 0.00 +0.174 A ATOM 13 C LIG 1 -1.846 -2.509 1.485 0.00 0.00 +0.054 A ATOM 14 C LIG 1 -2.737 -1.442 1.703 0.00 0.00 -0.029 A ATOM 15 C LIG 1 -2.561 -0.241 0.978 0.00 0.00 +0.022 A BRANCH 14 16 ATOM 16 C LIG 1 -3.881 -1.583 2.688 0.00 0.00 +0.119 C BRANCH 16 17 ATOM 17 N LIG 1 -5.188 -1.932 2.123 0.00 0.00 -0.298 NA ATOM 18 C LIG 1 -5.290 -3.303 1.611 0.00 0.00 +0.088 C ATOM 19 C LIG 1 -6.431 -3.503 0.590 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -6.790 -4.981 0.458 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -7.651 -2.663 0.975 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -7.287 -1.181 1.102 0.00 0.00 +0.016 C ATOM 23 C LIG 1 -5.782 -0.929 1.249 0.00 0.00 +0.085 C ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 3 5 BRANCH 1 26 ATOM 24 C LIG 1 3.404 2.178 -0.095 0.00 0.00 -0.032 A ATOM 25 C LIG 1 2.136 2.214 -0.723 0.00 0.00 +0.028 A ATOM 26 C LIG 1 0.968 1.736 -0.114 0.00 0.00 +0.034 A ATOM 27 C LIG 1 1.037 1.266 1.194 0.00 0.00 +0.023 A ATOM 28 C LIG 1 2.262 1.225 1.854 0.00 0.00 +0.002 A ATOM 29 C LIG 1 3.425 1.663 1.216 0.00 0.00 +0.005 A BRANCH 24 33 ATOM 30 C LIG 1 6.839 5.292 0.228 0.00 0.00 +0.007 C ATOM 31 C LIG 1 5.708 4.285 0.215 0.00 0.00 -0.012 C ATOM 32 C LIG 1 4.821 4.257 -1.054 0.00 0.00 +0.022 C ATOM 33 C LIG 1 4.719 2.696 -0.874 0.00 0.00 +0.056 C ATOM 34 C LIG 1 6.088 2.821 -0.115 0.00 0.00 +0.022 C BRANCH 33 35 ATOM 35 C LIG 1 4.877 1.905 -2.235 0.00 0.00 +0.144 A ATOM 36 N LIG 1 5.159 0.575 -2.395 0.00 0.00 -0.320 N ATOM 37 C LIG 1 5.364 -0.410 -1.367 0.00 0.00 +0.151 C ATOM 38 C LIG 1 5.159 0.351 -3.737 0.00 0.00 +0.224 A ATOM 39 N LIG 1 4.906 1.475 -4.369 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 4.726 2.456 -3.422 0.00 0.00 -0.134 NA ENDBRANCH 33 35 ENDBRANCH 24 33 ENDBRANCH 1 26 TORSDOF 6