REMARK Name = BDB017478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.949 1.315 0.512 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.607 2.678 0.456 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.255 3.038 0.526 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.223 2.115 0.647 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.029 2.902 0.670 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.308 4.213 0.619 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.563 0.752 0.732 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.643 4.259 0.500 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.084 5.167 0.415 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.914 0.377 0.664 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 -4.307 0.310 -2.481 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -5.116 -0.381 -1.886 0.00 0.00 +0.228 C ATOM 13 C LIG 1 -5.928 0.032 -0.678 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.390 0.863 0.469 0.00 0.00 +0.040 C ATOM 15 C LIG 1 -6.375 1.456 -0.517 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -6.827 -1.145 -0.424 0.00 0.00 -0.008 A ATOM 17 C LIG 1 -6.512 -2.138 -1.368 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -7.146 -3.363 -1.425 0.00 0.00 +0.026 A ATOM 19 C LIG 1 -8.147 -3.603 -0.484 0.00 0.00 +0.040 A ATOM 20 C LIG 1 -8.475 -2.623 0.465 0.00 0.00 +0.124 A ATOM 21 F LIG 1 -9.442 -2.880 1.356 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -7.824 -1.390 0.506 0.00 0.00 +0.044 A ATOM 23 N LIG 1 -5.499 -1.673 -2.207 0.00 0.00 -0.284 N ATOM 24 H LIG 1 -5.110 -2.171 -2.993 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 25 ATOM 25 C LIG 1 1.325 2.441 0.770 0.00 0.00 +0.031 C ATOM 26 C LIG 1 1.818 1.301 0.257 0.00 0.00 +0.011 C BRANCH 26 27 ATOM 27 C LIG 1 3.221 0.883 0.368 0.00 0.00 -0.007 A ATOM 28 C LIG 1 3.543 -0.466 0.449 0.00 0.00 +0.120 A ATOM 29 N LIG 1 4.805 -0.958 0.525 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 5.839 -0.091 0.500 0.00 0.00 +0.121 A ATOM 31 C LIG 1 5.600 1.282 0.423 0.00 0.00 +0.044 A ATOM 32 C LIG 1 4.292 1.770 0.346 0.00 0.00 +0.013 A BRANCH 30 33 ATOM 33 N LIG 1 7.136 -0.585 0.596 0.00 0.00 -0.311 N ATOM 34 C LIG 1 8.180 -0.006 -0.267 0.00 0.00 +0.134 C ATOM 35 C LIG 1 8.915 -1.105 -1.055 0.00 0.00 +0.178 C ATOM 36 O LIG 1 9.514 -2.107 -0.223 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 8.740 -2.408 0.950 0.00 0.00 +0.178 C ATOM 38 C LIG 1 7.254 -2.034 0.831 0.00 0.00 +0.134 C ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 5 25 TORSDOF 4