REMARK Name = BDB004761 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.869 1.732 -1.031 0.00 0.00 +0.119 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.800 3.201 -0.600 0.00 0.00 -0.024 A ATOM 3 C LIG 1 0.162 3.610 0.586 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.124 4.968 0.935 0.00 0.00 +0.127 A ATOM 5 C LIG 1 0.707 5.936 0.110 0.00 0.00 +0.033 A ATOM 6 C LIG 1 1.335 5.540 -1.069 0.00 0.00 +0.003 A ATOM 7 C LIG 1 1.382 4.187 -1.420 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 -0.532 5.377 2.181 0.00 0.00 +0.056 N ATOM 9 O LIG 1 -0.784 4.495 3.014 0.00 0.00 -0.126 OA ATOM 10 O LIG 1 -0.787 6.581 2.328 0.00 0.00 -0.126 OA ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 N LIG 1 0.904 0.863 0.158 0.00 0.00 -0.320 N ATOM 12 H LIG 1 1.419 1.309 0.914 0.00 0.00 +0.148 HD BRANCH 11 13 ATOM 13 C LIG 1 1.483 -0.416 -0.012 0.00 0.00 +0.130 A ATOM 14 C LIG 1 1.545 -1.293 1.092 0.00 0.00 +0.041 A ATOM 15 C LIG 1 2.170 -2.536 0.877 0.00 0.00 +0.088 A ATOM 16 C LIG 1 2.251 -3.423 1.972 0.00 0.00 +0.063 A ATOM 17 C LIG 1 1.717 -3.085 3.231 0.00 0.00 +0.015 A ATOM 18 C LIG 1 1.093 -1.864 3.427 0.00 0.00 +0.002 A ATOM 19 N LIG 1 2.660 -2.850 -0.344 0.00 0.00 -0.235 NA ATOM 20 C LIG 1 2.522 -1.953 -1.327 0.00 0.00 +0.223 A ATOM 21 C LIG 1 1.006 -0.976 2.364 0.00 0.00 +0.013 A ATOM 22 N LIG 1 1.962 -0.749 -1.220 0.00 0.00 -0.220 NA BRANCH 16 23 ATOM 23 C LIG 1 2.887 -4.776 1.886 0.00 0.00 +0.244 C ATOM 24 O LIG 1 2.878 -5.552 2.836 0.00 0.00 -0.270 OA ATOM 25 N LIG 1 3.483 -5.142 0.715 0.00 0.00 -0.325 N ATOM 26 H LIG 1 3.851 -6.078 0.630 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 3.419 -4.548 -0.106 0.00 0.00 +0.145 HD ENDBRANCH 16 23 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 1 28 ATOM 28 C LIG 1 -0.263 1.356 -2.038 0.00 0.00 +0.137 C BRANCH 28 30 ATOM 29 C LIG 1 -2.318 2.722 -1.531 0.00 0.00 +0.135 C ATOM 30 N LIG 1 -1.648 1.436 -1.543 0.00 0.00 -0.268 N ATOM 31 C LIG 1 -2.332 0.359 -0.999 0.00 0.00 +0.403 C ATOM 32 O LIG 1 -3.432 0.473 -0.470 0.00 0.00 -0.226 OA BRANCH 31 33 ATOM 33 O LIG 1 -1.685 -0.822 -1.171 0.00 0.00 -0.445 OA BRANCH 33 34 ATOM 34 C LIG 1 -2.326 -2.073 -0.812 0.00 0.00 +0.107 C ATOM 35 C LIG 1 -1.321 -3.163 -1.213 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -2.575 -2.167 0.697 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -3.613 -2.292 -1.618 0.00 0.00 +0.055 C ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 9