REMARK Name = BDB027466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.348 0.839 -1.059 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.623 0.494 -1.530 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.709 1.359 -1.247 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.535 2.520 -0.500 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.318 2.868 -0.040 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.287 2.035 -0.322 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.639 3.437 -0.154 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.404 4.820 -0.022 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.438 5.694 0.303 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -4.181 7.005 0.413 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.723 5.216 0.511 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.718 6.058 0.823 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.990 3.858 0.399 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.954 2.975 0.071 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 2.985 -0.463 -0.128 0.00 0.00 +0.061 C ATOM 16 C LIG 1 1.423 -0.524 -0.066 0.00 0.00 +0.129 C ATOM 17 N LIG 1 0.826 0.127 -1.250 0.00 0.00 -0.327 N ATOM 18 C LIG 1 1.227 -0.392 -2.554 0.00 0.00 +0.105 C ATOM 19 C LIG 1 2.745 -0.326 -2.692 0.00 0.00 +0.021 C ATOM 20 C LIG 1 3.447 -1.005 -1.510 0.00 0.00 +0.027 C BRANCH 15 24 ATOM 21 C LIG 1 7.259 -0.949 1.493 0.00 0.00 +0.040 C ATOM 22 C LIG 1 5.810 -1.052 1.946 0.00 0.00 +0.141 C ATOM 23 O LIG 1 5.028 -1.482 0.824 0.00 0.00 -0.367 OA ATOM 24 C LIG 1 3.602 -1.351 1.019 0.00 0.00 +0.165 C ATOM 25 C LIG 1 3.247 -0.918 2.456 0.00 0.00 +0.193 C ATOM 26 O LIG 1 3.906 0.289 2.843 0.00 0.00 -0.375 OA ATOM 27 C LIG 1 5.304 0.286 2.506 0.00 0.00 +0.191 C ENDBRANCH 15 24 BRANCH 15 28 ATOM 28 N LIG 1 3.426 0.955 -0.057 0.00 0.00 -0.321 NA ATOM 29 H LIG 1 3.280 1.304 0.893 0.00 0.00 +0.119 HD ATOM 30 H LIG 1 2.810 1.508 -0.656 0.00 0.00 +0.119 HD ENDBRANCH 15 28 ENDBRANCH 1 17 BRANCH 2 31 ATOM 31 C LIG 1 -1.967 -0.792 -2.241 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 -2.246 -1.866 -1.306 0.00 0.00 -0.310 N ATOM 33 C LIG 1 -3.436 -2.097 -0.669 0.00 0.00 +0.166 A ATOM 34 C LIG 1 -3.222 -3.248 0.074 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -4.301 -3.711 0.846 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -5.457 -3.010 0.827 0.00 0.00 -0.219 NA ATOM 37 C LIG 1 -5.527 -1.911 0.044 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -1.936 -3.718 -0.106 0.00 0.00 -0.231 NA ATOM 39 N LIG 1 -4.569 -1.376 -0.741 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -1.392 -2.880 -0.963 0.00 0.00 +0.202 A BRANCH 35 41 ATOM 41 N LIG 1 -4.237 -4.849 1.639 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -4.927 -4.840 2.378 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -3.291 -5.125 1.877 0.00 0.00 +0.144 HD ENDBRANCH 35 41 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 7