REMARK Name = BDB020738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.927 0.535 -0.625 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.210 -0.698 -0.261 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -0.871 -1.994 -0.658 0.00 0.00 +0.046 C ATOM 4 C LIG 1 0.995 -0.589 0.373 0.00 0.00 +0.044 A ATOM 5 N LIG 1 1.529 0.718 0.576 0.00 0.00 -0.318 N ATOM 6 C LIG 1 0.880 1.890 0.171 0.00 0.00 +0.055 A ATOM 7 C LIG 1 1.675 2.981 0.487 0.00 0.00 +0.007 A ATOM 8 C LIG 1 2.832 2.477 1.125 0.00 0.00 +0.028 A ATOM 9 C LIG 1 2.724 1.106 1.153 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -0.402 1.757 -0.430 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.332 4.366 0.217 0.00 0.00 -0.012 A ATOM 12 C LIG 1 1.042 4.793 -1.078 0.00 0.00 +0.031 A ATOM 13 C LIG 1 0.729 6.131 -1.286 0.00 0.00 +0.039 A ATOM 14 C LIG 1 0.406 6.620 -2.666 0.00 0.00 +0.065 C ATOM 15 N LIG 1 0.698 7.039 -0.282 0.00 0.00 -0.257 NA ATOM 16 C LIG 1 0.990 6.614 0.969 0.00 0.00 +0.039 A ATOM 17 C LIG 1 0.954 7.635 2.067 0.00 0.00 +0.065 C ATOM 18 C LIG 1 1.313 5.294 1.258 0.00 0.00 +0.031 A ENDBRANCH 7 11 BRANCH 1 21 ATOM 19 N LIG 1 -3.244 0.002 -0.355 0.00 0.00 -0.307 N ATOM 20 H LIG 1 -2.978 -0.131 0.617 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 -2.306 0.546 -1.198 0.00 0.00 +0.245 C ATOM 22 O LIG 1 -2.552 1.044 -2.289 0.00 0.00 -0.270 OA BRANCH 19 23 ATOM 23 C LIG 1 -4.658 0.143 -0.618 0.00 0.00 +0.149 C BRANCH 23 25 ATOM 24 C LIG 1 -6.264 -1.800 -0.592 0.00 0.00 +0.132 A ATOM 25 C LIG 1 -5.423 -0.960 0.040 0.00 0.00 +0.075 A ATOM 26 C LIG 1 -5.283 -1.110 1.520 0.00 0.00 +0.257 A ATOM 27 O LIG 1 -4.538 -0.387 2.175 0.00 0.00 -0.267 OA ATOM 28 N LIG 1 -6.012 -2.111 2.113 0.00 0.00 -0.326 N ATOM 29 H LIG 1 -5.894 -2.198 3.115 0.00 0.00 +0.169 HD ATOM 30 C LIG 1 -6.822 -2.993 1.436 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.502 -4.056 2.240 0.00 0.00 +0.063 C ATOM 32 C LIG 1 -6.950 -2.865 0.108 0.00 0.00 +0.067 A BRANCH 24 34 ATOM 33 C LIG 1 -7.664 -1.088 -2.298 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -6.458 -1.772 -1.956 0.00 0.00 -0.495 OA ENDBRANCH 24 34 ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 4 35 ATOM 35 C LIG 1 1.776 -1.811 0.884 0.00 0.00 +0.101 C ATOM 36 C LIG 1 1.692 -1.841 2.426 0.00 0.00 +0.031 C BRANCH 35 37 ATOM 37 N LIG 1 3.156 -1.911 0.367 0.00 0.00 -0.292 NA ATOM 38 C LIG 1 3.920 -3.038 0.942 0.00 0.00 +0.100 C ATOM 39 C LIG 1 5.157 -3.501 0.121 0.00 0.00 +0.100 C ATOM 40 N LIG 1 5.720 -2.430 -0.706 0.00 0.00 -0.292 NA ATOM 41 C LIG 1 4.694 -1.884 -1.619 0.00 0.00 +0.100 C ATOM 42 C LIG 1 3.232 -1.959 -1.101 0.00 0.00 +0.100 C BRANCH 40 43 ATOM 43 C LIG 1 6.943 -2.821 -1.447 0.00 0.00 +0.198 C BRANCH 43 44 ATOM 44 C LIG 1 8.157 -3.345 -0.654 0.00 0.00 +0.402 C ATOM 45 F LIG 1 9.231 -3.467 -1.472 0.00 0.00 -0.169 F ATOM 46 F LIG 1 8.510 -2.523 0.356 0.00 0.00 -0.169 F ATOM 47 F LIG 1 7.919 -4.572 -0.133 0.00 0.00 -0.169 F ENDBRANCH 43 44 ENDBRANCH 40 43 ENDBRANCH 35 37 ENDBRANCH 4 35 TORSDOF 9