REMARK Name = BDB026537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.408 -1.388 0.490 0.00 0.00 +0.076 C ATOM 2 C LIG 1 -1.161 -0.397 -0.430 0.00 0.00 +0.037 C ATOM 3 C LIG 1 -2.444 0.150 0.215 0.00 0.00 +0.055 C ATOM 4 C LIG 1 -3.019 1.256 -0.682 0.00 0.00 +0.024 C ATOM 5 N LIG 1 -3.371 -0.954 0.422 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -2.822 -2.246 0.810 0.00 0.00 +0.086 C ATOM 7 C LIG 1 -1.418 -2.142 1.409 0.00 0.00 +0.034 C ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 0.215 -2.489 -0.393 0.00 0.00 +0.311 C ATOM 9 O LIG 1 -0.469 -3.225 -1.101 0.00 0.00 -0.250 OA BRANCH 8 10 ATOM 10 O LIG 1 1.551 -2.659 -0.341 0.00 0.00 -0.480 OA ATOM 11 H LIG 1 2.035 -1.847 -0.065 0.00 0.00 +0.295 HD ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 12 ATOM 12 C LIG 1 0.571 -0.649 1.452 0.00 0.00 +0.076 C BRANCH 12 15 ATOM 13 C LIG 1 3.366 0.511 -0.669 0.00 0.00 +0.124 A ATOM 14 N LIG 1 2.459 -0.291 -0.042 0.00 0.00 -0.234 NA ATOM 15 C LIG 1 1.571 0.280 0.810 0.00 0.00 +0.079 A ATOM 16 C LIG 1 1.578 1.638 1.088 0.00 0.00 +0.145 A ATOM 17 F LIG 1 0.692 2.174 1.931 0.00 0.00 -0.204 F ATOM 18 C LIG 1 2.517 2.452 0.475 0.00 0.00 +0.043 A ATOM 19 C LIG 1 3.424 1.874 -0.413 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 20 N LIG 1 4.179 -0.145 -1.588 0.00 0.00 -0.283 N ATOM 21 H LIG 1 3.941 -1.127 -1.586 0.00 0.00 +0.155 HD BRANCH 20 27 ATOM 22 C LIG 1 7.815 -0.259 -4.936 0.00 0.00 +0.065 C ATOM 23 C LIG 1 6.793 0.112 -3.929 0.00 0.00 +0.035 A ATOM 24 N LIG 1 6.553 1.402 -3.557 0.00 0.00 -0.280 N ATOM 25 H LIG 1 7.007 2.247 -3.894 0.00 0.00 +0.189 HD ATOM 26 N LIG 1 5.592 1.521 -2.629 0.00 0.00 -0.158 NA ATOM 27 C LIG 1 5.160 0.276 -2.421 0.00 0.00 +0.146 A ATOM 28 C LIG 1 5.894 -0.645 -3.212 0.00 0.00 +0.068 A ENDBRANCH 20 27 ENDBRANCH 13 20 ENDBRANCH 12 15 ENDBRANCH 1 12 BRANCH 5 29 ATOM 29 C LIG 1 -4.744 -0.686 0.859 0.00 0.00 +0.125 C BRANCH 29 30 ATOM 30 C LIG 1 -4.941 0.129 2.114 0.00 0.00 +0.037 A ATOM 31 C LIG 1 -5.825 1.211 2.091 0.00 0.00 +0.131 A ATOM 32 F LIG 1 -6.457 1.539 0.959 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -6.093 1.969 3.229 0.00 0.00 +0.039 A ATOM 34 C LIG 1 -5.477 1.649 4.432 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -4.611 0.563 4.491 0.00 0.00 +0.039 A ATOM 36 C LIG 1 -4.360 -0.191 3.343 0.00 0.00 +0.131 A ATOM 37 F LIG 1 -3.542 -1.248 3.458 0.00 0.00 -0.205 F ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8