REMARK Name = BDB010449 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.631 -1.389 -0.437 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.263 -1.311 -0.699 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.554 -2.397 -0.416 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.846 -2.169 -0.777 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.871 -0.943 -1.239 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.127 -3.542 0.136 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.176 -3.513 0.413 0.00 0.00 +0.201 A ATOM 8 N LIG 1 0.619 -0.358 -1.168 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.063 -2.524 0.152 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -1.775 -4.725 1.046 0.00 0.00 +0.196 A ATOM 11 N LIG 1 -3.090 -4.724 1.494 0.00 0.00 -0.274 N ATOM 12 H LIG 1 -3.735 -4.257 0.858 0.00 0.00 +0.189 HD ATOM 13 N LIG 1 -3.330 -6.082 1.745 0.00 0.00 -0.237 N ATOM 14 C LIG 1 -4.325 -6.423 2.728 0.00 0.00 +0.175 C ATOM 15 C LIG 1 -2.092 -6.726 1.729 0.00 0.00 +0.365 A ATOM 16 O LIG 1 -1.874 -7.851 2.153 0.00 0.00 -0.243 OA ATOM 17 N LIG 1 -1.153 -5.871 1.193 0.00 0.00 -0.169 NA ENDBRANCH 7 10 BRANCH 5 18 ATOM 18 N LIG 1 2.960 -0.265 -1.710 0.00 0.00 -0.289 N ATOM 19 C LIG 1 4.250 -0.631 -1.029 0.00 0.00 +0.132 C ATOM 20 C LIG 1 5.460 -0.283 -1.938 0.00 0.00 +0.187 C ATOM 21 O LIG 1 5.461 -0.993 -3.191 0.00 0.00 -0.376 OA ATOM 22 C LIG 1 4.138 -1.308 -3.649 0.00 0.00 +0.179 C ATOM 23 C LIG 1 3.088 -0.285 -3.192 0.00 0.00 +0.136 C BRANCH 19 24 ATOM 24 C LIG 1 4.332 0.047 0.334 0.00 0.00 -0.025 A ATOM 25 C LIG 1 4.668 1.402 0.483 0.00 0.00 +0.005 A ATOM 26 C LIG 1 4.742 1.982 1.752 0.00 0.00 +0.000 A ATOM 27 C LIG 1 4.462 1.225 2.886 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.104 -0.114 2.755 0.00 0.00 +0.000 A ATOM 29 C LIG 1 4.038 -0.698 1.489 0.00 0.00 +0.005 A ENDBRANCH 19 24 ENDBRANCH 5 18 BRANCH 1 30 ATOM 30 N LIG 1 -2.535 -0.384 -0.758 0.00 0.00 -0.324 N ATOM 31 H LIG 1 -2.309 0.050 -1.644 0.00 0.00 +0.148 HD BRANCH 30 33 ATOM 32 C LIG 1 -4.480 -1.438 -1.824 0.00 0.00 +0.028 C ATOM 33 C LIG 1 -3.968 -0.654 -0.611 0.00 0.00 +0.072 C BRANCH 33 34 ATOM 34 C LIG 1 -4.772 0.649 -0.490 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -4.386 1.644 0.639 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -4.828 2.779 -0.308 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -4.533 1.824 -1.483 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 1 30 BRANCH 8 38 ATOM 38 C LIG 1 0.345 1.035 -1.460 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 0.742 2.033 -0.355 0.00 0.00 +0.009 C ATOM 40 C LIG 1 0.077 1.737 0.994 0.00 0.00 +0.005 C ATOM 41 C LIG 1 0.523 2.718 2.081 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.606 4.183 1.619 0.00 0.00 -0.014 C ATOM 43 C LIG 1 2.056 4.673 1.576 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -0.090 4.393 0.274 0.00 0.00 +0.003 C ATOM 45 C LIG 1 0.432 3.470 -0.828 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 8