REMARK Name = BDB021533 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.121 0.633 1.341 0.00 0.00 +0.123 A ATOM 2 C LIG 1 3.318 0.092 0.334 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.944 0.392 0.249 0.00 0.00 +0.045 A ATOM 4 N LIG 1 1.246 -0.167 -0.842 0.00 0.00 -0.331 N ATOM 5 C LIG 1 0.118 -1.060 -0.493 0.00 0.00 +0.123 C ATOM 6 C LIG 1 -0.637 -0.720 0.799 0.00 0.00 +0.127 C ATOM 7 N LIG 1 -1.004 0.689 0.893 0.00 0.00 -0.293 N ATOM 8 C LIG 1 -0.049 1.652 1.218 0.00 0.00 +0.249 C ATOM 9 O LIG 1 -0.334 2.807 1.526 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.925 0.850 -1.856 0.00 0.00 +0.129 C ATOM 11 C LIG 1 1.386 1.252 1.217 0.00 0.00 +0.058 A ATOM 12 C LIG 1 2.192 1.791 2.231 0.00 0.00 +0.018 A ATOM 13 C LIG 1 3.548 1.471 2.297 0.00 0.00 +0.046 A ENDROOT BRANCH 1 14 ATOM 14 O LIG 1 5.455 0.394 1.512 0.00 0.00 -0.489 OA BRANCH 14 19 ATOM 15 C LIG 1 9.603 -1.557 0.359 0.00 0.00 +0.104 C ATOM 16 N LIG 1 8.738 -1.080 -0.719 0.00 0.00 -0.305 NA ATOM 17 C LIG 1 8.514 0.370 -0.652 0.00 0.00 +0.087 C ATOM 18 C LIG 1 7.558 0.799 0.459 0.00 0.00 +0.060 C ATOM 19 C LIG 1 6.227 0.052 0.353 0.00 0.00 +0.176 C ATOM 20 C LIG 1 6.482 -1.456 0.327 0.00 0.00 +0.060 C ATOM 21 C LIG 1 7.471 -1.819 -0.781 0.00 0.00 +0.087 C ENDBRANCH 14 19 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 C LIG 1 -2.415 1.080 0.802 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -3.175 0.524 -0.418 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -2.524 0.896 -1.642 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -3.240 0.918 -2.310 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.623 1.068 -0.444 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.320 0.688 -1.698 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.759 -0.724 -1.703 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.957 -1.022 -0.826 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.865 -0.006 -0.475 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -8.985 -0.315 0.310 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -9.214 -1.626 0.725 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.328 -2.638 0.363 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.605 1.422 -0.886 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.206 -2.339 -0.412 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.499 1.543 -1.946 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 7