REMARK Name = BDB048167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.526 -1.343 -0.383 0.00 0.00 +0.051 A ATOM 2 C LIG 1 0.263 -0.205 -0.082 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.657 -0.276 -0.122 0.00 0.00 +0.040 A ATOM 4 C LIG 1 2.287 -1.483 -0.455 0.00 0.00 +0.061 A ATOM 5 C LIG 1 1.508 -2.614 -0.743 0.00 0.00 +0.017 A ATOM 6 C LIG 1 0.114 -2.545 -0.706 0.00 0.00 +0.026 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.783 -2.552 0.075 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -4.500 -2.780 -0.584 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -4.126 -1.611 -1.412 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -2.602 -1.477 -1.620 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -1.937 -1.220 -0.319 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -2.534 -1.953 0.829 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -3.436 -3.126 0.384 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 2 14 ATOM 14 N LIG 1 -0.462 0.960 0.241 0.00 0.00 -0.280 N ATOM 15 H LIG 1 -1.466 0.791 0.224 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 0.015 2.185 0.644 0.00 0.00 +0.248 C ATOM 17 O LIG 1 1.186 2.482 0.850 0.00 0.00 -0.270 OA BRANCH 16 18 ATOM 18 C LIG 1 -1.031 3.220 0.880 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -2.196 3.281 0.097 0.00 0.00 +0.038 A ATOM 20 C LIG 1 -3.151 4.274 0.328 0.00 0.00 +0.061 A ATOM 21 C LIG 1 -2.956 5.151 1.405 0.00 0.00 +0.144 A ATOM 22 F LIG 1 -3.892 6.071 1.686 0.00 0.00 -0.204 F ATOM 23 C LIG 1 -1.797 5.115 2.176 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -0.825 4.154 1.904 0.00 0.00 +0.016 A BRANCH 20 25 ATOM 25 N LIG 1 -4.370 4.253 -0.372 0.00 0.00 -0.356 N ATOM 26 H LIG 1 -4.296 3.933 -1.332 0.00 0.00 +0.142 HD ATOM 27 H LIG 1 -4.874 5.136 -0.294 0.00 0.00 +0.142 HD ENDBRANCH 20 25 ENDBRANCH 16 18 ENDBRANCH 2 14 BRANCH 4 28 ATOM 28 C LIG 1 3.769 -1.630 -0.515 0.00 0.00 +0.344 C ATOM 29 O LIG 1 4.316 -2.692 -0.775 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 4.376 -0.419 -0.248 0.00 0.00 -0.422 OA BRANCH 30 31 ATOM 31 C LIG 1 5.769 -0.480 -0.285 0.00 0.00 +0.132 A ATOM 32 C LIG 1 6.473 -0.844 0.861 0.00 0.00 +0.046 A ATOM 33 C LIG 1 7.867 -0.854 0.828 0.00 0.00 +0.004 A ATOM 34 C LIG 1 8.541 -0.487 -0.339 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.824 -0.106 -1.476 0.00 0.00 +0.004 A ATOM 36 C LIG 1 6.430 -0.094 -1.450 0.00 0.00 +0.046 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 4 28 TORSDOF 7