REMARK Name = BDB048536 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.141 -0.428 -0.506 0.00 0.00 +0.055 A ATOM 2 C LIG 1 -1.696 0.694 0.158 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -3.031 0.629 0.566 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -3.797 -0.515 0.315 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -3.256 -1.629 -0.349 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -1.912 -1.566 -0.754 0.00 0.00 +0.033 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -0.855 1.808 0.414 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -1.471 3.131 0.178 0.00 0.00 +0.120 C ATOM 9 C LIG 1 -0.414 4.246 0.375 0.00 0.00 +0.103 C ATOM 10 N LIG 1 0.289 4.227 1.679 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -0.576 4.678 2.767 0.00 0.00 +0.105 C ATOM 12 C LIG 1 0.808 2.860 1.933 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -0.220 1.714 1.754 0.00 0.00 +0.120 C ENDBRANCH 2 7 BRANCH 5 14 ATOM 14 C LIG 1 -4.074 -2.829 -0.605 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -3.597 -4.114 -0.304 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -4.378 -5.252 -0.543 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -5.671 -5.136 -1.051 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -6.130 -3.870 -1.415 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -5.352 -2.730 -1.177 0.00 0.00 +0.010 A BRANCH 17 20 ATOM 20 N LIG 1 -6.401 -6.279 -1.396 0.00 0.00 -0.358 N ATOM 21 H LIG 1 -7.402 -6.125 -1.451 0.00 0.00 +0.142 HD ATOM 22 H LIG 1 -6.163 -7.097 -0.845 0.00 0.00 +0.142 HD ENDBRANCH 17 20 ENDBRANCH 5 14 BRANCH 1 24 ATOM 23 C LIG 1 1.057 -1.238 -1.412 0.00 0.00 +0.250 C ATOM 24 N LIG 1 0.209 -0.292 -0.886 0.00 0.00 -0.280 N ATOM 25 H LIG 1 0.564 0.637 -0.669 0.00 0.00 +0.155 HD ATOM 26 O LIG 1 0.798 -2.396 -1.708 0.00 0.00 -0.270 OA BRANCH 23 34 ATOM 27 C LIG 1 4.384 0.216 -0.456 0.00 0.00 +0.070 A ATOM 28 C LIG 1 5.068 0.140 -1.678 0.00 0.00 +0.149 A ATOM 29 F LIG 1 6.335 0.587 -1.724 0.00 0.00 -0.203 F ATOM 30 C LIG 1 4.476 -0.369 -2.842 0.00 0.00 +0.006 A ATOM 31 C LIG 1 5.266 -0.403 -4.120 0.00 0.00 +0.048 C ATOM 32 C LIG 1 3.142 -0.814 -2.774 0.00 0.00 +0.059 A ATOM 33 CL LIG 1 2.355 -1.367 -4.217 0.00 0.00 -0.082 Cl ATOM 34 C LIG 1 2.453 -0.756 -1.552 0.00 0.00 +0.057 A ATOM 35 C LIG 1 3.077 -0.251 -0.397 0.00 0.00 +0.040 A BRANCH 27 38 ATOM 36 C LIG 1 5.625 1.608 2.830 0.00 0.00 +0.109 C ATOM 37 C LIG 1 4.583 1.033 1.904 0.00 0.00 +0.214 C ATOM 38 N LIG 1 5.079 0.769 0.642 0.00 0.00 -0.283 N ATOM 39 H LIG 1 6.041 1.035 0.448 0.00 0.00 +0.155 HD ATOM 40 O LIG 1 3.438 0.831 2.293 0.00 0.00 -0.276 OA ENDBRANCH 27 38 ENDBRANCH 23 34 ENDBRANCH 1 24 TORSDOF 6