REMARK Name = BDB011887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.771 1.556 -1.693 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.511 1.241 -2.161 0.00 0.00 -0.284 N ATOM 3 C LIG 1 -1.517 0.494 -1.387 0.00 0.00 +0.193 C ATOM 4 C LIG 1 -1.109 -0.977 -1.371 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -0.587 -1.509 -2.586 0.00 0.00 -0.038 A ATOM 6 C LIG 1 -0.287 -2.875 -2.676 0.00 0.00 +0.042 A ATOM 7 C LIG 1 -0.472 -3.697 -1.572 0.00 0.00 +0.124 A ATOM 8 C LIG 1 -0.925 -3.181 -0.366 0.00 0.00 +0.039 A ATOM 9 F LIG 1 -0.171 -4.999 -1.662 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -0.229 -0.605 -3.764 0.00 0.00 +0.054 C ATOM 11 C LIG 1 -1.232 -1.823 -0.259 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -0.585 0.884 -3.576 0.00 0.00 +0.113 C ATOM 13 O LIG 1 1.679 1.802 -2.501 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 14 ATOM 14 C LIG 1 -2.144 1.189 -0.154 0.00 0.00 +0.242 C ATOM 15 N LIG 1 -3.152 0.466 0.462 0.00 0.00 -0.279 N ATOM 16 H LIG 1 -3.573 -0.293 -0.067 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 -1.861 2.350 0.130 0.00 0.00 -0.273 OA BRANCH 15 18 ATOM 18 C LIG 1 -3.828 0.803 1.659 0.00 0.00 +0.105 A ATOM 19 C LIG 1 -5.056 0.171 1.888 0.00 0.00 +0.147 A ATOM 20 F LIG 1 -5.527 -0.697 0.976 0.00 0.00 -0.203 F ATOM 21 C LIG 1 -5.816 0.422 3.029 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -5.342 1.315 3.986 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -4.107 1.932 3.796 0.00 0.00 +0.040 A ATOM 24 C LIG 1 -3.355 1.672 2.646 0.00 0.00 +0.147 A ATOM 25 F LIG 1 -2.136 2.223 2.577 0.00 0.00 -0.203 F ENDBRANCH 15 18 ENDBRANCH 3 14 BRANCH 1 26 ATOM 26 C LIG 1 1.123 1.433 -0.189 0.00 0.00 +0.162 C BRANCH 26 28 ATOM 27 C LIG 1 2.081 -0.589 0.926 0.00 0.00 +0.230 C ATOM 28 N LIG 1 2.056 0.300 -0.124 0.00 0.00 -0.302 N ATOM 29 H LIG 1 2.809 0.301 -0.802 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 1.215 -0.619 1.799 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 C LIG 1 3.265 -1.587 0.881 0.00 0.00 +0.137 C ATOM 32 C LIG 1 2.836 -2.804 0.065 0.00 0.00 +0.034 C BRANCH 31 34 ATOM 33 C LIG 1 4.699 -2.900 2.383 0.00 0.00 +0.101 C ATOM 34 N LIG 1 3.672 -1.883 2.267 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 2.840 -2.144 2.801 0.00 0.00 +0.122 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 26 28 BRANCH 26 36 ATOM 36 C LIG 1 1.783 2.693 0.433 0.00 0.00 +0.012 C ATOM 37 C LIG 1 0.808 3.867 0.527 0.00 0.00 +0.009 C ATOM 38 C LIG 1 3.071 3.157 -0.257 0.00 0.00 +0.009 C ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 7