REMARK Name = BDB025742 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.060 1.137 0.849 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.558 -0.062 0.292 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.807 -0.200 0.017 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.716 0.839 0.297 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.193 2.016 0.855 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.007 3.039 1.156 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.166 2.172 1.128 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.370 3.127 -0.504 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.580 2.444 0.618 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.662 3.094 1.956 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.932 4.529 1.944 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.456 2.817 2.774 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.814 1.436 2.519 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.450 1.237 1.093 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.118 2.179 0.157 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.151 0.687 0.014 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.860 -0.474 0.253 0.00 0.00 +0.124 A ATOM 18 N LIG 1 5.178 -0.643 0.001 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.853 0.390 -0.524 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.261 1.565 -0.793 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.941 1.685 -0.520 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 7.204 0.256 -0.769 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.772 -1.091 -0.887 0.00 0.00 +0.136 C ATOM 24 C LIG 1 8.492 -1.242 -2.237 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.545 -0.288 -2.447 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 9.325 0.962 -1.773 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.841 1.302 -1.572 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.520 -1.068 0.056 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.457 -0.763 0.321 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.316 -2.347 -0.396 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.248 -2.874 -0.677 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.576 -3.143 -0.466 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.670 -2.862 -1.383 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.751 -3.664 -1.371 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.850 -4.821 -0.441 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -5.865 -5.508 -0.458 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.751 -5.027 0.386 0.00 0.00 -0.318 N ATOM 38 C LIG 1 -3.752 -6.155 1.305 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -2.639 -4.200 0.357 0.00 0.00 +0.102 A BRANCH 33 40 ATOM 40 C LIG 1 -3.549 -1.716 -2.336 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -3.647 -0.527 -1.689 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.534 -1.717 -3.273 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.375 -1.714 -3.011 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6