REMARK Name = BDB005480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.094 0.742 -1.065 0.00 0.00 +0.149 A ATOM 2 N LIG 1 1.389 -0.299 -0.437 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.073 0.006 -0.600 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.271 -0.536 -0.287 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.110 0.450 -1.042 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.347 1.483 -1.646 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.714 2.438 -2.310 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.022 1.136 -1.351 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.257 1.592 -1.657 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.536 0.390 -1.062 0.00 0.00 +0.080 A ATOM 11 C LIG 1 -4.251 -0.819 -0.974 0.00 0.00 +0.141 A ATOM 12 C LIG 1 -5.649 -0.834 -0.899 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -6.367 0.356 -0.968 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -5.691 1.570 -1.098 0.00 0.00 -0.048 A ATOM 15 C LIG 1 -6.452 2.858 -1.217 0.00 0.00 +0.044 C ATOM 16 C LIG 1 -4.286 1.574 -1.156 0.00 0.00 +0.030 A BRANCH 11 17 ATOM 17 O LIG 1 -3.617 -2.038 -0.994 0.00 0.00 -0.493 OA ATOM 18 C LIG 1 -3.617 -2.559 -2.326 0.00 0.00 +0.277 C ENDBRANCH 11 17 ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.583 -0.543 1.202 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.051 -1.719 1.813 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.351 -1.747 3.177 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.188 -0.598 3.946 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -2.553 -0.634 5.627 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -1.734 0.581 3.361 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.436 0.610 1.996 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 6.229 1.117 -1.470 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.758 1.044 -0.216 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 4.418 0.939 -0.093 0.00 0.00 +0.231 A ATOM 29 C LIG 1 3.544 0.867 -1.163 0.00 0.00 +0.097 A ATOM 30 C LIG 1 4.151 0.979 -2.397 0.00 0.00 +0.133 A ATOM 31 N LIG 1 5.484 1.085 -2.581 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 8.337 1.356 -0.495 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.585 1.215 -1.691 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 3.879 0.883 1.179 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 4.823 1.139 2.214 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.966 -1.511 0.138 0.00 0.00 +0.083 C ATOM 37 C LIG 1 1.784 -1.598 1.652 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.464 -2.780 -0.554 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 7