REMARK Name = BDB019665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.264 0.812 1.313 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -1.033 1.927 1.342 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -2.330 1.780 0.989 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -2.854 0.558 0.549 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -2.027 -0.573 0.496 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.698 -0.441 0.902 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.166 2.989 1.108 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.406 3.618 2.360 0.00 0.00 -0.039 A ATOM 9 C LIG 1 -2.787 3.101 3.638 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -4.207 4.776 2.416 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.758 5.302 1.254 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -5.513 6.409 1.324 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -4.537 4.700 0.022 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -3.748 3.549 -0.051 0.00 0.00 +0.013 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.965 1.433 0.653 0.00 0.00 -0.302 N ATOM 16 H LIG 1 1.554 1.630 -0.251 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 1.160 0.975 1.683 0.00 0.00 +0.263 C ATOM 18 O LIG 1 1.542 0.652 2.805 0.00 0.00 -0.269 OA BRANCH 15 19 ATOM 19 C LIG 1 3.416 1.395 0.760 0.00 0.00 +0.125 C BRANCH 19 23 ATOM 20 C LIG 1 3.413 -3.091 -1.641 0.00 0.00 +0.044 C ATOM 21 C LIG 1 3.982 -2.136 -0.634 0.00 0.00 -0.047 A ATOM 22 C LIG 1 3.429 -0.865 -0.447 0.00 0.00 +0.028 A ATOM 23 C LIG 1 3.989 0.001 0.504 0.00 0.00 +0.062 A ATOM 24 N LIG 1 5.076 -0.355 1.241 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 5.592 -1.589 1.048 0.00 0.00 +0.111 A ATOM 26 C LIG 1 5.092 -2.499 0.132 0.00 0.00 +0.023 A ENDBRANCH 19 23 BRANCH 19 27 ATOM 27 C LIG 1 3.970 2.481 -0.137 0.00 0.00 +0.015 C ATOM 28 C LIG 1 4.001 2.380 -1.648 0.00 0.00 +0.006 C ATOM 29 C LIG 1 5.291 2.393 -0.868 0.00 0.00 +0.006 C ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -2.529 -1.891 -0.035 0.00 0.00 +0.138 C BRANCH 30 31 ATOM 31 N LIG 1 -1.971 -2.093 -1.351 0.00 0.00 -0.329 N ATOM 32 H LIG 1 -1.957 -1.267 -1.942 0.00 0.00 +0.147 HD BRANCH 31 33 ATOM 33 C LIG 1 -2.077 -3.242 -2.076 0.00 0.00 +0.090 C ATOM 34 C LIG 1 -2.429 -4.568 -1.462 0.00 0.00 +0.073 C ATOM 35 C LIG 1 -2.841 -5.316 -2.706 0.00 0.00 +0.031 C ATOM 36 C LIG 1 -2.006 -4.649 -3.781 0.00 0.00 +0.143 C ATOM 37 N LIG 1 -1.873 -3.241 -3.362 0.00 0.00 -0.273 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8