REMARK Name = BDB060572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.047 -3.571 0.319 0.00 0.00 +0.078 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.098 -3.647 -0.744 0.00 0.00 +0.005 A ATOM 3 C LIG 1 -2.652 -2.625 -1.502 0.00 0.00 +0.069 A ATOM 4 N LIG 1 -3.587 -3.221 -2.301 0.00 0.00 -0.276 N ATOM 5 H LIG 1 -4.184 -2.776 -2.989 0.00 0.00 +0.189 HD ATOM 6 N LIG 1 -3.692 -4.546 -2.126 0.00 0.00 -0.178 NA ATOM 7 C LIG 1 -2.792 -4.817 -1.175 0.00 0.00 +0.064 A ATOM 8 C LIG 1 -2.615 -6.213 -0.700 0.00 0.00 +0.068 C BRANCH 3 9 ATOM 9 C LIG 1 -2.375 -1.201 -1.567 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -1.414 -0.718 -2.458 0.00 0.00 +0.011 A ATOM 11 C LIG 1 -1.130 0.651 -2.521 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -1.802 1.562 -1.693 0.00 0.00 +0.017 A ATOM 13 C LIG 1 -2.775 1.065 -0.811 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -3.060 -0.304 -0.747 0.00 0.00 +0.011 A BRANCH 12 15 ATOM 15 C LIG 1 -1.474 2.984 -1.738 0.00 0.00 +0.135 A ATOM 16 O LIG 1 -1.948 3.749 -0.709 0.00 0.00 -0.463 OA ATOM 17 C LIG 1 -1.526 5.021 -0.921 0.00 0.00 +0.196 A ATOM 18 C LIG 1 -0.785 5.097 -2.075 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -0.747 3.783 -2.602 0.00 0.00 +0.050 A ENDBRANCH 12 15 ENDBRANCH 3 9 ENDBRANCH 1 2 BRANCH 1 21 ATOM 20 C LIG 1 0.939 -1.994 0.188 0.00 0.00 +0.124 A ATOM 21 C LIG 1 0.245 -3.109 -0.317 0.00 0.00 -0.001 A ATOM 22 C LIG 1 0.814 -3.815 -1.397 0.00 0.00 +0.007 A ATOM 23 C LIG 1 2.018 -3.402 -1.970 0.00 0.00 +0.001 A ATOM 24 C LIG 1 2.688 -2.294 -1.460 0.00 0.00 +0.004 A ATOM 25 C LIG 1 2.158 -1.599 -0.373 0.00 0.00 +0.046 A BRANCH 20 26 ATOM 26 O LIG 1 0.437 -1.367 1.302 0.00 0.00 -0.488 OA BRANCH 26 27 ATOM 27 C LIG 1 0.296 0.053 1.162 0.00 0.00 +0.256 C BRANCH 27 30 ATOM 28 C LIG 1 2.129 2.543 0.570 0.00 0.00 +0.039 C ATOM 29 C LIG 1 2.050 1.792 1.873 0.00 0.00 -0.073 C ATOM 30 C LIG 1 1.253 0.727 2.104 0.00 0.00 +0.012 C BRANCH 29 31 ATOM 31 C LIG 1 2.975 2.294 2.968 0.00 0.00 +0.041 C BRANCH 31 32 ATOM 32 C LIG 1 2.489 3.600 3.595 0.00 0.00 +0.125 C BRANCH 32 33 ATOM 33 C LIG 1 3.391 4.027 4.719 0.00 0.00 +0.305 C ATOM 34 O LIG 1 4.393 3.463 5.125 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 2.975 5.176 5.290 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 3.633 5.339 5.998 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 20 26 ENDBRANCH 1 21 TORSDOF 11