REMARK Name = BDB000286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.083 -0.445 0.616 0.00 0.00 -0.011 A ATOM 2 C LIG 1 1.008 0.189 -0.040 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -0.269 -0.388 -0.102 0.00 0.00 +0.079 A ATOM 4 N LIG 1 -1.360 0.225 -0.784 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -2.638 -0.337 -0.705 0.00 0.00 +0.265 C ATOM 6 C LIG 1 -2.771 -1.506 0.293 0.00 0.00 +0.289 C ATOM 7 O LIG 1 -1.629 -2.325 0.497 0.00 0.00 -0.473 OA ATOM 8 O LIG 1 -3.602 0.126 -1.317 0.00 0.00 -0.271 OA ATOM 9 C LIG 1 -0.453 -1.631 0.517 0.00 0.00 +0.143 A ATOM 10 C LIG 1 0.602 -2.281 1.161 0.00 0.00 +0.048 A ATOM 11 C LIG 1 1.860 -1.688 1.221 0.00 0.00 +0.012 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -3.920 -2.438 -0.074 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -5.142 -2.368 0.617 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -6.198 -3.215 0.273 0.00 0.00 +0.039 A ATOM 15 C LIG 1 -6.037 -4.128 -0.762 0.00 0.00 +0.123 A ATOM 16 F LIG 1 -7.051 -4.939 -1.089 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -4.841 -4.211 -1.463 0.00 0.00 +0.039 A ATOM 18 C LIG 1 -3.783 -3.366 -1.122 0.00 0.00 +0.010 A ENDBRANCH 6 12 BRANCH 1 20 ATOM 19 C LIG 1 4.497 -0.202 -0.084 0.00 0.00 +0.056 A ATOM 20 C LIG 1 3.402 0.201 0.679 0.00 0.00 +0.043 A ATOM 21 C LIG 1 3.649 1.296 1.510 0.00 0.00 +0.129 A ATOM 22 N LIG 1 4.830 1.925 1.583 0.00 0.00 -0.199 NA ATOM 23 C LIG 1 5.815 1.444 0.829 0.00 0.00 +0.214 A ATOM 24 N LIG 1 5.698 0.419 -0.014 0.00 0.00 -0.219 NA BRANCH 21 25 ATOM 25 N LIG 1 2.640 1.853 2.307 0.00 0.00 -0.343 N ATOM 26 H LIG 1 3.067 2.594 2.857 0.00 0.00 +0.144 HD ATOM 27 H LIG 1 2.199 1.152 2.892 0.00 0.00 +0.144 HD ENDBRANCH 21 25 BRANCH 23 28 ATOM 28 N LIG 1 7.036 2.083 0.885 0.00 0.00 -0.327 N ATOM 29 H LIG 1 7.540 1.927 0.024 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 6.906 3.041 1.179 0.00 0.00 +0.145 HD ENDBRANCH 23 28 BRANCH 19 32 ATOM 31 C LIG 1 3.948 -0.825 -2.454 0.00 0.00 +0.010 C ATOM 32 C LIG 1 4.426 -1.319 -1.097 0.00 0.00 +0.053 C ENDBRANCH 19 32 ENDBRANCH 1 20 BRANCH 4 33 ATOM 33 C LIG 1 -1.194 1.415 -1.620 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 C LIG 1 -1.718 2.700 -0.973 0.00 0.00 +0.047 C BRANCH 34 35 ATOM 35 C LIG 1 -0.922 3.139 0.251 0.00 0.00 +0.161 C BRANCH 35 36 ATOM 36 O LIG 1 -1.355 4.418 0.717 0.00 0.00 -0.383 OA ATOM 37 C LIG 1 -2.539 4.360 1.501 0.00 0.00 +0.193 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 9