REMARK Name = BDB027024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.738 1.656 0.679 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.523 3.003 -0.001 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.939 4.175 0.655 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.765 5.426 0.061 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.182 5.524 -1.200 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.781 4.371 -1.871 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.956 3.118 -1.280 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.717 0.548 0.287 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.085 -0.483 -0.284 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.329 -1.368 -0.038 0.00 0.00 +0.006 A ATOM 11 C LIG 1 4.228 -0.166 0.684 0.00 0.00 +0.036 A ATOM 12 C LIG 1 2.961 0.421 0.835 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.798 -0.135 0.301 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.702 0.730 0.644 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.245 1.770 1.380 0.00 0.00 +0.095 A ATOM 16 C LIG 1 1.913 -1.339 -0.422 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.596 1.576 1.481 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.239 2.193 1.961 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.172 -1.938 -0.582 0.00 0.00 +0.011 A BRANCH 10 24 ATOM 20 C LIG 1 9.096 -2.753 0.049 0.00 0.00 +0.174 C ATOM 21 N LIG 1 7.684 -2.623 -0.189 0.00 0.00 -0.254 N ATOM 22 N LIG 1 7.054 -3.499 -0.984 0.00 0.00 -0.065 NA ATOM 23 N LIG 1 5.775 -3.148 -1.020 0.00 0.00 -0.130 NA ATOM 24 C LIG 1 5.608 -2.032 -0.236 0.00 0.00 +0.113 A ATOM 25 C LIG 1 6.828 -1.684 0.304 0.00 0.00 +0.138 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.149 1.176 0.590 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.158 0.221 0.961 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.680 1.122 -0.780 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.049 0.417 -0.832 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.053 -1.025 -0.369 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -4.182 -1.970 -0.929 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.199 -3.298 -0.496 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.097 -3.702 0.495 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.978 -2.769 1.051 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.956 -1.441 0.619 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -5.117 -5.064 0.940 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -5.140 -6.167 1.303 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9