REMARK Name = BDB025792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.309 3.221 -0.172 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -1.073 3.062 -0.358 0.00 0.00 +0.133 A ATOM 3 F LIG 1 -1.860 4.135 -0.530 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.684 1.808 -0.366 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.919 0.655 -0.178 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.476 0.789 0.014 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.075 2.054 0.011 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.470 -0.652 -0.191 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -1.877 -1.060 -1.560 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -2.360 -2.540 -1.547 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -2.673 -3.012 -2.970 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.466 -2.807 -0.576 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -4.747 -2.233 -0.993 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.025 -2.337 0.773 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.062 -2.588 1.873 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.551 -0.853 0.802 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 3.588 6.544 1.729 0.00 0.00 +0.045 C ATOM 18 C LIG 1 2.518 6.173 0.752 0.00 0.00 -0.032 A ATOM 19 C LIG 1 1.925 4.906 0.771 0.00 0.00 +0.015 A ATOM 20 C LIG 1 0.946 4.552 -0.171 0.00 0.00 +0.003 A ATOM 21 C LIG 1 0.623 5.534 -1.110 0.00 0.00 +0.119 A ATOM 22 N LIG 1 1.184 6.767 -1.173 0.00 0.00 -0.262 NA ATOM 23 C LIG 1 2.120 7.053 -0.245 0.00 0.00 +0.114 A ENDBRANCH 1 20 BRANCH 6 24 ATOM 24 N LIG 1 1.177 -0.421 0.205 0.00 0.00 -0.280 N ATOM 25 H LIG 1 0.553 -1.226 0.161 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 2.508 -0.597 0.484 0.00 0.00 +0.250 C ATOM 27 O LIG 1 3.357 0.270 0.648 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 2.873 -2.033 0.659 0.00 0.00 +0.065 A ATOM 29 C LIG 1 2.822 -3.029 -0.407 0.00 0.00 +0.073 A ATOM 30 C LIG 1 3.193 -4.298 -0.138 0.00 0.00 +0.083 A ATOM 31 C LIG 1 3.647 -4.685 1.221 0.00 0.00 +0.249 A ATOM 32 O LIG 1 3.970 -5.837 1.476 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 3.677 -3.674 2.147 0.00 0.00 -0.328 N ATOM 34 H LIG 1 4.006 -3.932 3.072 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 3.310 -2.378 1.881 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 2.397 -2.608 -1.778 0.00 0.00 +0.418 C ATOM 37 F LIG 1 1.067 -2.342 -1.821 0.00 0.00 -0.166 F ATOM 38 F LIG 1 3.046 -1.503 -2.213 0.00 0.00 -0.166 F ATOM 39 F LIG 1 2.618 -3.576 -2.707 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 6 24 TORSDOF 5