REMARK Name = BDB024284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.043 -0.741 1.250 0.00 0.00 +0.173 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.724 -1.924 0.579 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -1.502 -2.320 -0.752 0.00 0.00 +0.046 A ATOM 4 CL LIG 1 -0.445 -1.471 -1.821 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -2.171 -3.430 -1.286 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -3.065 -4.161 -0.507 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.296 -3.787 0.811 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -2.632 -2.682 1.349 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 1.224 -0.089 0.578 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.696 0.490 -0.068 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 0.496 -0.956 1.361 0.00 0.00 +0.240 C ATOM 12 O LIG 1 0.963 -1.819 2.101 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 5.309 0.424 -0.006 0.00 0.00 +0.003 A ATOM 14 C LIG 1 4.309 1.128 -0.667 0.00 0.00 +0.121 A ATOM 15 N LIG 1 2.978 0.953 -0.466 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 2.602 0.025 0.438 0.00 0.00 +0.125 A ATOM 17 C LIG 1 3.522 -0.724 1.155 0.00 0.00 +0.044 A ATOM 18 C LIG 1 4.887 -0.521 0.930 0.00 0.00 +0.013 A BRANCH 13 23 ATOM 19 C LIG 1 9.596 1.658 -2.190 0.00 0.00 +0.172 C ATOM 20 N LIG 1 8.606 1.205 -1.244 0.00 0.00 -0.274 N ATOM 21 N LIG 1 8.998 0.756 -0.040 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 7.852 0.418 0.557 0.00 0.00 +0.143 A ATOM 23 C LIG 1 6.719 0.655 -0.256 0.00 0.00 +0.021 A ATOM 24 C LIG 1 7.252 1.166 -1.423 0.00 0.00 +0.116 A ENDBRANCH 13 23 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 N LIG 1 -1.353 0.595 0.649 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -0.840 1.280 1.211 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.780 0.944 0.753 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.525 0.761 -0.576 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.990 1.109 -0.440 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.917 0.121 -0.078 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.269 0.441 0.067 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -7.707 1.752 -0.146 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.785 2.741 -0.503 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.433 2.421 -0.647 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -9.094 2.080 0.003 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -10.217 2.345 0.126 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9