REMARK Name = BDB019949 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.225 0.338 -0.402 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.848 -0.883 -0.684 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.169 -1.107 -0.285 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -2.869 -0.094 0.383 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.260 1.140 0.667 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.932 1.349 0.263 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.811 -2.377 -0.560 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -3.461 -3.308 0.305 0.00 0.00 +0.173 A ATOM 9 N LIG 1 -3.929 -4.363 -0.397 0.00 0.00 -0.167 NA ATOM 10 N LIG 1 -3.578 -4.103 -1.667 0.00 0.00 -0.273 N ATOM 11 C LIG 1 -3.932 -5.040 -2.707 0.00 0.00 +0.172 C ATOM 12 C LIG 1 -2.899 -2.932 -1.818 0.00 0.00 +0.117 A BRANCH 8 13 ATOM 13 C LIG 1 -3.618 -3.187 1.796 0.00 0.00 +0.437 C ATOM 14 F LIG 1 -2.438 -2.882 2.408 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -4.485 -2.191 2.135 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -4.077 -4.318 2.395 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 1.951 1.365 -0.073 0.00 0.00 -0.304 N ATOM 18 H LIG 1 1.641 1.553 0.867 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 1.177 0.536 -0.856 0.00 0.00 +0.245 C ATOM 20 O LIG 1 1.586 -0.044 -1.855 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 3.372 1.510 -0.319 0.00 0.00 +0.107 C BRANCH 21 27 ATOM 22 C LIG 1 5.138 -1.759 0.599 0.00 0.00 +0.155 A ATOM 23 C LIG 1 5.474 -1.518 1.933 0.00 0.00 +0.165 A ATOM 24 F LIG 1 6.119 -2.453 2.647 0.00 0.00 -0.202 F ATOM 25 C LIG 1 5.143 -0.319 2.558 0.00 0.00 +0.042 A ATOM 26 C LIG 1 4.469 0.671 1.844 0.00 0.00 +0.008 A ATOM 27 C LIG 1 4.138 0.473 0.494 0.00 0.00 -0.023 A ATOM 28 C LIG 1 4.470 -0.758 -0.113 0.00 0.00 +0.054 A BRANCH 22 30 ATOM 29 C LIG 1 5.093 -3.290 -1.223 0.00 0.00 +0.277 C ATOM 30 O LIG 1 5.503 -2.981 0.103 0.00 0.00 -0.492 OA ENDBRANCH 22 30 ENDBRANCH 21 27 BRANCH 21 31 ATOM 31 C LIG 1 3.859 2.914 -0.034 0.00 0.00 +0.014 C ATOM 32 C LIG 1 3.213 3.871 0.947 0.00 0.00 +0.006 C ATOM 33 C LIG 1 3.083 4.115 -0.530 0.00 0.00 +0.006 C ENDBRANCH 21 31 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 34 ATOM 34 C LIG 1 -3.040 2.240 1.355 0.00 0.00 +0.161 C BRANCH 34 35 ATOM 35 N LIG 1 -3.907 2.925 0.424 0.00 0.00 -0.295 N ATOM 36 C LIG 1 -5.249 2.671 0.227 0.00 0.00 +0.296 A ATOM 37 N LIG 1 -6.051 1.868 0.823 0.00 0.00 -0.250 NA ATOM 38 H LIG 1 -5.570 1.361 1.562 0.00 0.00 +0.191 HD ATOM 39 O LIG 1 -5.742 3.461 -0.806 0.00 0.00 -0.431 OA ATOM 40 C LIG 1 -4.600 4.171 -1.189 0.00 0.00 +0.217 A ATOM 41 C LIG 1 -3.518 3.869 -0.483 0.00 0.00 +0.129 A ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 9