REMARK Name = BDB031082 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.337 0.741 1.510 0.00 0.00 +0.133 A ATOM 2 C LIG 1 2.596 0.520 0.239 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.298 0.899 0.204 0.00 0.00 +0.105 A ATOM 4 N LIG 1 0.683 1.451 1.327 0.00 0.00 -0.297 N ATOM 5 C LIG 1 1.343 1.618 2.538 0.00 0.00 +0.142 A ATOM 6 N LIG 1 0.546 2.095 3.469 0.00 0.00 -0.235 NA ATOM 7 C LIG 1 -0.668 2.245 2.853 0.00 0.00 +0.141 A ATOM 8 C LIG 1 -0.611 1.906 1.513 0.00 0.00 +0.091 A ATOM 9 C LIG 1 2.716 1.259 2.594 0.00 0.00 +0.093 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -1.656 1.953 0.508 0.00 0.00 +0.091 A ATOM 11 N LIG 1 -2.795 1.322 0.869 0.00 0.00 -0.231 NA ATOM 12 C LIG 1 -3.818 1.326 -0.003 0.00 0.00 +0.120 A ATOM 13 C LIG 1 -3.744 1.966 -1.234 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -2.568 2.620 -1.588 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -1.500 2.618 -0.700 0.00 0.00 +0.030 A BRANCH 12 16 ATOM 16 N LIG 1 -4.976 0.670 0.414 0.00 0.00 -0.319 N ATOM 17 H LIG 1 -4.761 0.357 1.367 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 -5.336 -0.513 -0.409 0.00 0.00 +0.156 C ATOM 19 C LIG 1 -6.753 -1.019 -0.124 0.00 0.00 +0.280 C ATOM 20 F LIG 1 -7.182 -1.772 -1.176 0.00 0.00 -0.202 F ATOM 21 F LIG 1 -7.657 -0.035 0.046 0.00 0.00 -0.202 F ATOM 22 C LIG 1 -6.607 -1.912 1.109 0.00 0.00 +0.158 C ATOM 23 N LIG 1 -5.162 -2.189 1.282 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 -4.998 -3.183 1.444 0.00 0.00 +0.122 HD ATOM 25 C LIG 1 -4.532 -1.754 0.020 0.00 0.00 +0.109 C ENDBRANCH 16 18 ENDBRANCH 12 16 ENDBRANCH 8 10 BRANCH 2 26 ATOM 26 C LIG 1 3.205 -0.071 -0.918 0.00 0.00 +0.024 A ATOM 27 C LIG 1 3.991 -1.202 -0.952 0.00 0.00 +0.117 A ATOM 28 N LIG 1 4.354 -1.376 -2.256 0.00 0.00 -0.262 N ATOM 29 N LIG 1 3.794 -0.476 -3.088 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 3.119 0.334 -2.267 0.00 0.00 +0.143 A BRANCH 28 31 ATOM 31 C LIG 1 5.159 -2.445 -2.798 0.00 0.00 +0.256 C BRANCH 31 32 ATOM 32 C LIG 1 6.625 -2.208 -2.570 0.00 0.00 +0.409 C ATOM 33 F LIG 1 7.073 -1.069 -3.134 0.00 0.00 -0.169 F ATOM 34 F LIG 1 7.343 -3.227 -3.110 0.00 0.00 -0.169 F ATOM 35 F LIG 1 6.933 -2.176 -1.253 0.00 0.00 -0.169 F ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 2 26 BRANCH 1 37 ATOM 36 C LIG 1 5.477 0.598 2.602 0.00 0.00 +0.277 C ATOM 37 O LIG 1 4.671 0.392 1.448 0.00 0.00 -0.494 OA ENDBRANCH 1 37 TORSDOF 7