REMARK Name = BDB055921 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.014 -0.467 0.405 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.417 -1.543 -0.261 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.025 -1.621 -0.390 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.803 -0.639 0.162 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -0.198 0.454 0.790 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.195 0.535 0.921 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 3.852 1.456 1.757 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.214 0.482 1.111 0.00 0.00 +0.249 C ATOM 9 N LIG 1 3.423 -0.463 0.491 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.881 -1.255 0.055 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 5.677 0.231 1.020 0.00 0.00 +0.049 A ATOM 12 C LIG 1 6.355 0.069 -0.203 0.00 0.00 +0.070 A ATOM 13 C LIG 1 7.743 -0.166 -0.172 0.00 0.00 +0.051 A ATOM 14 C LIG 1 8.425 -0.211 1.040 0.00 0.00 +0.124 A ATOM 15 F LIG 1 9.745 -0.432 1.043 0.00 0.00 -0.205 F ATOM 16 C LIG 1 7.759 -0.023 2.243 0.00 0.00 +0.039 A ATOM 17 C LIG 1 6.383 0.203 2.235 0.00 0.00 +0.016 A BRANCH 12 18 ATOM 18 C LIG 1 5.641 0.141 -1.524 0.00 0.00 +0.418 C ATOM 19 F LIG 1 6.485 0.189 -2.592 0.00 0.00 -0.166 F ATOM 20 F LIG 1 4.828 1.221 -1.646 0.00 0.00 -0.166 F ATOM 21 F LIG 1 4.860 -0.958 -1.727 0.00 0.00 -0.166 F ENDBRANCH 12 18 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 22 ATOM 22 N LIG 1 -2.202 -0.714 -0.027 0.00 0.00 -0.314 N ATOM 23 H LIG 1 -2.484 -1.625 -0.387 0.00 0.00 +0.152 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.228 -0.219 0.827 0.00 0.00 +0.044 A ATOM 25 C LIG 1 -4.479 0.201 0.314 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -5.469 0.451 1.281 0.00 0.00 +0.143 A ATOM 27 N LIG 1 -6.769 0.743 0.890 0.00 0.00 -0.306 N ATOM 28 H LIG 1 -7.446 0.866 1.629 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 -7.209 0.786 -0.400 0.00 0.00 +0.258 A ATOM 30 C LIG 1 -6.188 0.629 -1.465 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -6.600 0.784 -2.800 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -5.667 0.734 -3.827 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.326 0.552 -3.518 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -3.921 0.393 -2.185 0.00 0.00 +0.009 A ATOM 35 O LIG 1 -8.393 0.968 -0.668 0.00 0.00 -0.267 OA ATOM 36 N LIG 1 -5.302 0.385 2.619 0.00 0.00 -0.237 NA ATOM 37 C LIG 1 -4.091 0.016 3.060 0.00 0.00 +0.115 A ATOM 38 C LIG 1 -4.841 0.388 -1.120 0.00 0.00 -0.000 A ATOM 39 C LIG 1 -3.049 -0.313 2.218 0.00 0.00 +0.043 A ENDBRANCH 22 24 ENDBRANCH 4 22 TORSDOF 5