REMARK Name = BDB026291 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.121 -1.321 -0.913 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.398 -0.322 -0.216 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.929 -0.539 0.172 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.597 -1.744 -0.126 0.00 0.00 +0.037 A ATOM 5 C LIG 1 0.870 -2.708 -0.837 0.00 0.00 +0.134 A ATOM 6 F LIG 1 1.439 -3.873 -1.186 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.459 -2.510 -1.222 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.936 -3.828 -0.237 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.500 -2.409 -0.371 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.179 -2.316 -1.688 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.591 -1.967 -1.557 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.497 -1.393 -2.615 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.963 -1.531 -2.547 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.476 -1.093 -1.226 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.402 -1.342 -0.088 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.002 -1.942 0.286 0.00 0.00 +0.076 A ATOM 17 N LIG 1 3.745 -0.807 0.358 0.00 0.00 -0.232 NA ATOM 18 C LIG 1 5.042 -0.861 0.729 0.00 0.00 +0.122 A ATOM 19 C LIG 1 5.626 -2.079 1.064 0.00 0.00 +0.044 A ATOM 20 C LIG 1 4.875 -3.248 1.000 0.00 0.00 +0.005 A ATOM 21 C LIG 1 3.545 -3.181 0.607 0.00 0.00 +0.028 A BRANCH 18 22 ATOM 22 N LIG 1 5.763 0.327 0.822 0.00 0.00 -0.311 N ATOM 23 C LIG 1 4.983 1.560 0.620 0.00 0.00 +0.134 C ATOM 24 C LIG 1 5.910 2.776 0.768 0.00 0.00 +0.178 C ATOM 25 O LIG 1 6.994 2.803 -0.178 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 7.300 1.512 -0.723 0.00 0.00 +0.178 C ATOM 27 C LIG 1 7.134 0.360 0.284 0.00 0.00 +0.134 C ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.086 0.890 0.005 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.006 0.893 -0.428 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.691 1.977 0.739 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.317 2.107 1.423 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.696 3.078 0.711 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -2.397 3.506 1.917 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -3.272 4.527 1.845 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -3.524 5.215 0.554 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -4.319 6.142 0.471 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -2.816 4.741 -0.524 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -2.980 5.223 -1.401 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -1.918 3.705 -0.456 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -2.124 2.759 3.190 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -2.872 3.248 4.220 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -2.494 1.455 3.059 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6