REMARK Name = BDB010200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.975 -1.284 0.467 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.959 -0.767 -0.317 0.00 0.00 -0.303 N ATOM 3 C LIG 1 -0.109 -0.483 0.513 0.00 0.00 +0.130 A ATOM 4 C LIG 1 0.387 -0.760 1.780 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.303 -0.590 2.916 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.527 -0.114 2.696 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.111 0.169 1.507 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.418 -0.020 0.365 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.653 -1.256 1.736 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.368 0.144 3.887 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.579 0.703 3.725 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.002 0.987 2.859 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.121 0.825 4.942 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.220 1.292 5.193 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.231 0.334 5.865 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.084 -0.105 5.125 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 4.409 -1.562 0.594 0.00 0.00 +0.079 C ATOM 18 N LIG 1 3.102 -1.818 -0.093 0.00 0.00 -0.298 N ATOM 19 C LIG 1 2.995 -3.303 -0.211 0.00 0.00 +0.108 C ATOM 20 C LIG 1 4.108 -3.901 0.648 0.00 0.00 +0.021 C ATOM 21 C LIG 1 4.563 -2.756 1.535 0.00 0.00 +0.024 C BRANCH 17 23 ATOM 22 C LIG 1 4.668 0.911 0.132 0.00 0.00 +0.009 C ATOM 23 C LIG 1 4.598 -0.164 1.223 0.00 0.00 +0.003 C ATOM 24 C LIG 1 5.872 -0.088 2.071 0.00 0.00 +0.009 C ENDBRANCH 17 23 ENDBRANCH 1 18 BRANCH 8 25 ATOM 25 N LIG 1 -1.996 0.256 -0.852 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.502 -0.082 -1.663 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.427 0.456 -1.080 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -3.940 1.731 -0.421 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 -4.252 -0.801 -0.785 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -4.818 -1.129 0.629 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -6.026 -1.767 -0.086 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -5.733 -0.821 -1.268 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 1.033 -0.628 -1.766 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 C LIG 1 0.848 0.780 -2.292 0.00 0.00 -0.028 A ATOM 35 C LIG 1 0.361 0.949 -3.599 0.00 0.00 +0.006 A ATOM 36 C LIG 1 0.186 2.226 -4.139 0.00 0.00 +0.013 A ATOM 37 C LIG 1 0.501 3.367 -3.390 0.00 0.00 +0.055 A ATOM 38 C LIG 1 1.018 3.201 -2.098 0.00 0.00 +0.013 A ATOM 39 C LIG 1 1.194 1.924 -1.558 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 0.328 4.744 -3.981 0.00 0.00 +0.417 C ATOM 41 F LIG 1 -0.738 4.828 -4.825 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.136 5.713 -3.044 0.00 0.00 -0.166 F ATOM 43 F LIG 1 1.411 5.134 -4.708 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 9