REMARK Name = BDB056081 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.234 0.109 0.135 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.211 1.556 0.017 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.383 2.105 0.656 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.437 3.464 0.355 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -2.456 4.310 0.811 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -3.454 3.744 1.607 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.433 2.394 1.940 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -4.732 4.742 2.190 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -0.339 3.745 -0.412 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -0.095 4.660 -0.770 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -2.401 1.569 1.476 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 0.405 2.614 -0.659 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 1.585 2.638 -1.480 0.00 0.00 +0.354 C ATOM 14 O LIG 1 2.203 1.690 -1.933 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 1.945 3.905 -1.773 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 2.757 3.786 -2.309 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 2.333 -1.124 -0.347 0.00 0.00 -0.309 N ATOM 18 H LIG 1 1.814 -1.415 -1.167 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 1.766 -0.070 0.353 0.00 0.00 +0.239 C ATOM 20 O LIG 1 2.395 0.625 1.149 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 4.218 -1.824 1.110 0.00 0.00 +0.031 C ATOM 22 C LIG 1 3.759 -1.484 -0.317 0.00 0.00 +0.026 C ATOM 23 C LIG 1 4.626 -0.357 -0.896 0.00 0.00 +0.031 C ATOM 24 C LIG 1 3.943 -2.741 -1.188 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 -0.363 -0.748 -0.913 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -0.357 -0.422 -2.252 0.00 0.00 +0.329 C ATOM 27 O LIG 1 -0.735 -1.156 -3.158 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 -0.841 -2.072 -0.519 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 -2.214 -2.031 0.110 0.00 0.00 -0.027 A ATOM 30 C LIG 1 -2.411 -2.483 1.423 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -3.683 -2.444 1.990 0.00 0.00 +0.159 A ATOM 32 F LIG 1 -3.851 -2.870 3.249 0.00 0.00 -0.202 F ATOM 33 C LIG 1 -4.765 -1.964 1.263 0.00 0.00 +0.158 A ATOM 34 F LIG 1 -5.985 -1.923 1.816 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -4.592 -1.522 -0.043 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -3.320 -1.559 -0.620 0.00 0.00 +0.008 A ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 8