REMARK Name = BDB056488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.168 1.596 0.482 0.00 0.00 +0.258 C ATOM 2 N LIG 1 -1.016 1.447 -0.244 0.00 0.00 -0.258 N ATOM 3 C LIG 1 -2.145 0.644 0.092 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -3.053 0.286 -0.921 0.00 0.00 +0.056 A ATOM 5 C LIG 1 -4.143 -0.550 -0.656 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -4.379 -1.016 0.643 0.00 0.00 +0.057 A ATOM 7 C LIG 1 -3.519 -0.605 1.669 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -2.883 0.750 -2.228 0.00 0.00 -0.283 N ATOM 9 H LIG 1 -3.492 0.442 -2.975 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -1.962 1.701 -2.569 0.00 0.00 +0.235 C ATOM 11 O LIG 1 -1.902 2.116 -3.725 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -2.420 0.219 1.396 0.00 0.00 +0.026 A ATOM 13 C LIG 1 -1.147 2.299 -1.431 0.00 0.00 +0.209 C ATOM 14 O LIG 1 0.875 2.597 0.340 0.00 0.00 -0.271 OA ENDROOT BRANCH 6 15 ATOM 15 C LIG 1 -5.573 -1.892 0.940 0.00 0.00 +0.417 C ATOM 16 F LIG 1 -5.911 -2.697 -0.105 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -5.375 -2.721 2.002 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -6.685 -1.165 1.230 0.00 0.00 -0.166 F ENDBRANCH 6 15 BRANCH 1 19 ATOM 19 C LIG 1 0.634 0.418 1.363 0.00 0.00 +0.325 C BRANCH 19 20 ATOM 20 O LIG 1 2.038 0.226 1.466 0.00 0.00 -0.482 OA BRANCH 20 22 ATOM 21 C LIG 1 4.152 -0.075 0.445 0.00 0.00 +0.078 A ATOM 22 C LIG 1 2.750 -0.127 0.353 0.00 0.00 +0.133 A ATOM 23 C LIG 1 2.172 -0.573 -0.843 0.00 0.00 +0.046 A ATOM 24 C LIG 1 2.972 -0.934 -1.932 0.00 0.00 +0.004 A ATOM 25 C LIG 1 4.359 -0.861 -1.841 0.00 0.00 +0.001 A ATOM 26 C LIG 1 4.950 -0.434 -0.654 0.00 0.00 +0.017 A BRANCH 21 30 ATOM 27 N LIG 1 5.913 -0.379 2.082 0.00 0.00 -0.325 N ATOM 28 H LIG 1 6.082 -1.301 1.707 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 6.292 -0.160 2.994 0.00 0.00 +0.145 HD ATOM 30 C LIG 1 4.830 0.367 1.695 0.00 0.00 +0.245 C ATOM 31 O LIG 1 4.466 1.325 2.362 0.00 0.00 -0.270 OA ENDBRANCH 21 30 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 5