REMARK Name = BDB026933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.317 -1.200 -0.282 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.182 -2.377 0.671 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.065 -3.685 0.173 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.939 -4.768 1.045 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.941 -4.560 2.423 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.078 -3.271 2.932 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.203 -2.186 2.063 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.290 -0.064 0.021 0.00 0.00 +0.188 C ATOM 9 O LIG 1 -0.682 1.083 0.266 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.724 1.656 0.678 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.629 0.397 0.214 0.00 0.00 +0.126 A ATOM 12 N LIG 1 3.377 -0.176 -0.002 0.00 0.00 -0.238 N ATOM 13 C LIG 1 2.184 0.510 0.233 0.00 0.00 +0.077 A ATOM 14 C LIG 1 1.143 -0.353 -0.067 0.00 0.00 +0.064 A ATOM 15 C LIG 1 1.805 -1.529 -0.479 0.00 0.00 +0.146 A ATOM 16 C LIG 1 2.280 1.857 0.695 0.00 0.00 +0.029 A ATOM 17 N LIG 1 3.133 -1.431 -0.451 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 3.492 2.405 0.902 0.00 0.00 +0.016 A BRANCH 10 21 ATOM 19 N LIG 1 7.032 1.481 1.386 0.00 0.00 -0.312 N ATOM 20 H LIG 1 6.752 0.585 1.762 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 6.048 2.312 0.899 0.00 0.00 +0.246 C ATOM 22 O LIG 1 6.200 3.513 0.703 0.00 0.00 -0.270 OA BRANCH 19 24 ATOM 23 C LIG 1 9.370 0.942 1.876 0.00 0.00 +0.024 C ATOM 24 C LIG 1 8.306 2.021 1.813 0.00 0.00 +0.101 C ENDBRANCH 19 24 ENDBRANCH 10 21 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.692 -0.647 -0.210 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.653 0.347 -0.458 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.635 -1.349 -1.085 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -5.053 -0.731 -1.003 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -6.058 -1.604 -1.766 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -5.093 0.710 -1.499 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -5.347 1.746 -0.587 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.378 3.078 -1.010 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.154 3.392 -2.352 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -4.895 2.369 -3.268 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.863 1.038 -2.844 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -5.190 4.757 -2.789 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -5.224 5.861 -3.145 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10