REMARK Name = BDB013481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.090 -1.601 -0.818 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.711 -1.722 -0.603 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.144 -2.326 -1.546 0.00 0.00 -0.028 A ATOM 4 C LIG 1 0.418 -2.924 -2.688 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -0.426 -3.623 -3.718 0.00 0.00 +0.044 C ATOM 6 C LIG 1 1.806 -2.841 -2.887 0.00 0.00 +0.004 A ATOM 7 C LIG 1 2.629 -2.179 -1.972 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.987 -0.844 0.166 0.00 0.00 +0.060 C BRANCH 8 9 ATOM 9 C LIG 1 2.322 0.469 0.646 0.00 0.00 -0.034 A ATOM 10 C LIG 1 2.251 1.603 -0.221 0.00 0.00 -0.017 A ATOM 11 C LIG 1 2.883 1.608 -1.586 0.00 0.00 +0.046 C ATOM 12 C LIG 1 1.520 2.726 0.229 0.00 0.00 +0.116 A ATOM 13 N LIG 1 1.251 3.917 -0.402 0.00 0.00 -0.129 NA ATOM 14 N LIG 1 0.511 4.662 0.409 0.00 0.00 -0.065 NA ATOM 15 N LIG 1 0.318 3.954 1.536 0.00 0.00 -0.247 N ATOM 16 C LIG 1 -0.440 4.532 2.614 0.00 0.00 +0.175 C ATOM 17 C LIG 1 0.921 2.728 1.481 0.00 0.00 +0.089 A ATOM 18 C LIG 1 0.997 1.652 2.361 0.00 0.00 +0.030 A ATOM 19 C LIG 1 1.699 0.528 1.915 0.00 0.00 +0.007 A ENDBRANCH 8 9 BRANCH 8 20 ATOM 20 C LIG 1 3.439 -1.784 1.300 0.00 0.00 +0.133 C BRANCH 20 21 ATOM 21 C LIG 1 4.420 -2.818 0.804 0.00 0.00 +0.308 C ATOM 22 O LIG 1 5.344 -2.589 0.035 0.00 0.00 -0.251 OA BRANCH 21 24 ATOM 23 C LIG 1 5.041 -5.071 0.957 0.00 0.00 +0.280 C ATOM 24 O LIG 1 4.155 -4.029 1.369 0.00 0.00 -0.468 OA ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 8 20 ENDBRANCH 1 8 BRANCH 3 25 ATOM 25 C LIG 1 -1.642 -2.297 -1.274 0.00 0.00 +0.144 C BRANCH 25 26 ATOM 26 N LIG 1 -2.089 -0.973 -0.740 0.00 0.00 -0.171 NA ATOM 27 S LIG 1 -3.543 -1.060 0.147 0.00 0.00 +0.063 S ATOM 28 O LIG 1 -3.408 -2.201 1.037 0.00 0.00 -0.153 OA ATOM 29 O LIG 1 -4.657 -1.004 -0.776 0.00 0.00 -0.153 OA ATOM 30 C LIG 1 -3.549 0.391 1.180 0.00 0.00 +0.126 A ATOM 31 C LIG 1 -3.523 1.688 0.638 0.00 0.00 +0.056 A ATOM 32 C LIG 1 -3.664 2.757 1.548 0.00 0.00 +0.025 A ATOM 33 C LIG 1 -3.798 2.553 2.925 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -3.792 1.265 3.438 0.00 0.00 +0.002 A ATOM 35 N LIG 1 -3.338 1.923 -0.729 0.00 0.00 -0.330 N ATOM 36 C LIG 1 -3.832 3.173 -1.306 0.00 0.00 +0.129 C ATOM 37 C LIG 1 -2.010 1.495 -1.212 0.00 0.00 +0.122 C ATOM 38 C LIG 1 -3.672 0.185 2.569 0.00 0.00 +0.030 A ATOM 39 C LIG 1 -2.061 0.085 -1.801 0.00 0.00 +0.128 C ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 7