REMARK Name = BDB013919 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.122 -1.340 0.861 0.00 0.00 -0.265 N ATOM 2 C LIG 1 -0.274 -2.480 0.083 0.00 0.00 +0.040 A ATOM 3 C LIG 1 0.626 -3.535 -0.187 0.00 0.00 -0.026 A ATOM 4 C LIG 1 0.212 -4.625 -0.974 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.088 -4.695 -1.468 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.990 -3.682 -1.171 0.00 0.00 +0.002 A ATOM 7 C LIG 1 2.004 -3.576 0.423 0.00 0.00 +0.039 C ATOM 8 C LIG 1 2.946 -2.549 -0.183 0.00 0.00 +0.036 C ATOM 9 C LIG 1 2.317 -1.169 -0.342 0.00 0.00 +0.160 C ATOM 10 C LIG 1 -1.589 -2.590 -0.397 0.00 0.00 +0.024 A ATOM 11 C LIG 1 1.412 -0.798 0.850 0.00 0.00 +0.240 C ATOM 12 O LIG 1 1.824 -0.011 1.712 0.00 0.00 -0.273 OA ENDROOT BRANCH 9 13 ATOM 13 N LIG 1 3.350 -0.139 -0.447 0.00 0.00 -0.303 N ATOM 14 H LIG 1 3.495 0.430 0.382 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 3.987 0.159 -1.632 0.00 0.00 +0.230 C ATOM 16 O LIG 1 3.742 -0.451 -2.669 0.00 0.00 -0.274 OA BRANCH 15 17 ATOM 17 C LIG 1 4.958 1.360 -1.518 0.00 0.00 +0.137 C ATOM 18 C LIG 1 4.184 2.671 -1.651 0.00 0.00 +0.034 C BRANCH 17 19 ATOM 19 N LIG 1 6.136 1.250 -2.407 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 6.819 1.952 -2.127 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 5.854 1.430 -3.826 0.00 0.00 +0.101 C ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 9 13 BRANCH 1 22 ATOM 22 C LIG 1 -0.856 -0.705 1.747 0.00 0.00 +0.153 C BRANCH 22 27 ATOM 23 C LIG 1 -5.257 1.529 3.466 0.00 0.00 -0.025 A ATOM 24 C LIG 1 -4.952 2.122 2.238 0.00 0.00 +0.016 A ATOM 25 C LIG 1 -3.804 1.760 1.508 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -2.922 0.760 1.986 0.00 0.00 -0.010 A ATOM 27 C LIG 1 -1.764 0.404 1.201 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -1.505 1.105 -0.002 0.00 0.00 +0.125 A ATOM 29 C LIG 1 -2.396 2.089 -0.439 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -3.258 0.174 3.232 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -3.533 2.403 0.300 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -4.402 0.543 3.952 0.00 0.00 +0.008 A BRANCH 23 34 ATOM 33 C LIG 1 -6.981 3.100 4.322 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -6.464 1.868 4.231 0.00 0.00 +0.000 C ENDBRANCH 23 34 BRANCH 28 35 ATOM 35 O LIG 1 -0.367 0.787 -0.692 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 -0.133 1.407 -1.951 0.00 0.00 +0.277 C ENDBRANCH 28 35 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 7