REMARK Name = BDB034637 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.214 -0.599 1.531 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.317 -1.416 1.225 0.00 0.00 -0.292 N ATOM 3 O LIG 1 0.339 0.571 1.905 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 2.682 -0.928 1.513 0.00 0.00 +0.091 C ATOM 5 C LIG 1 3.083 0.315 0.707 0.00 0.00 +0.038 C ATOM 6 C LIG 1 4.578 0.628 0.909 0.00 0.00 +0.092 C ATOM 7 C LIG 1 5.128 0.075 2.242 0.00 0.00 +0.094 C ATOM 8 N LIG 1 4.157 0.086 3.340 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 3.882 1.058 3.515 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 2.942 -0.688 3.025 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 4.825 2.089 0.775 0.00 0.00 +0.222 A ATOM 12 O LIG 1 5.104 2.563 -0.481 0.00 0.00 -0.425 OA ATOM 13 C LIG 1 5.254 3.902 -0.240 0.00 0.00 +0.214 A ATOM 14 C LIG 1 5.566 4.763 -1.392 0.00 0.00 +0.111 C ATOM 15 N LIG 1 5.090 4.216 1.026 0.00 0.00 -0.113 NA ATOM 16 N LIG 1 4.806 3.039 1.685 0.00 0.00 -0.112 NA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 18 ATOM 17 C LIG 1 -2.153 -0.325 0.755 0.00 0.00 +0.059 A ATOM 18 C LIG 1 -1.183 -1.118 1.394 0.00 0.00 +0.146 A ATOM 19 N LIG 1 -1.435 -2.322 1.979 0.00 0.00 -0.248 NA ATOM 20 C LIG 1 -2.701 -2.783 1.878 0.00 0.00 +0.115 A ATOM 21 C LIG 1 -3.744 -2.132 1.219 0.00 0.00 -0.024 A ATOM 22 C LIG 1 -3.433 -0.883 0.656 0.00 0.00 +0.030 A BRANCH 21 23 ATOM 23 C LIG 1 -5.132 -2.715 1.146 0.00 0.00 +0.021 C ATOM 24 C LIG 1 -5.348 -4.085 0.547 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -5.820 -2.870 -0.191 0.00 0.00 +0.009 C ENDBRANCH 21 23 BRANCH 17 26 ATOM 26 N LIG 1 -1.829 0.912 0.135 0.00 0.00 -0.339 N ATOM 27 H LIG 1 -1.063 1.356 0.663 0.00 0.00 +0.146 HD BRANCH 26 30 ATOM 28 C LIG 1 -3.064 3.004 -2.175 0.00 0.00 +0.121 C ATOM 29 C LIG 1 -3.252 1.513 -1.810 0.00 0.00 +0.054 C ATOM 30 C LIG 1 -2.763 1.862 -0.387 0.00 0.00 +0.075 C ATOM 31 C LIG 1 -2.057 3.088 -1.005 0.00 0.00 +0.054 C BRANCH 28 33 ATOM 32 C LIG 1 -5.142 3.817 -3.133 0.00 0.00 +0.194 C ATOM 33 O LIG 1 -4.230 3.849 -2.045 0.00 0.00 -0.380 OA ENDBRANCH 28 33 ENDBRANCH 26 30 ENDBRANCH 17 26 ENDBRANCH 1 18 BRANCH 2 34 ATOM 34 C LIG 1 1.211 -2.688 0.492 0.00 0.00 +0.111 C BRANCH 34 35 ATOM 35 C LIG 1 1.603 -2.572 -0.995 0.00 0.00 +0.000 C ATOM 36 C LIG 1 1.645 -3.964 -1.629 0.00 0.00 +0.009 C ATOM 37 C LIG 1 0.637 -1.677 -1.774 0.00 0.00 +0.009 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9