REMARK Name = BDB005710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.323 -0.839 0.842 0.00 0.00 +0.200 A ATOM 2 N LIG 1 -0.058 -0.904 0.881 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -0.447 -2.092 0.282 0.00 0.00 +0.096 A ATOM 4 C LIG 1 0.756 -2.641 -0.160 0.00 0.00 +0.095 A ATOM 5 C LIG 1 0.776 -3.837 -0.874 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -0.459 -4.412 -1.096 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -1.642 -3.911 -0.657 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -1.662 -2.752 0.055 0.00 0.00 +0.099 A ATOM 9 N LIG 1 1.823 -1.876 0.219 0.00 0.00 -0.214 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.556 -5.674 -1.847 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -1.760 -6.225 -2.047 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -2.647 -5.869 -1.732 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -1.560 -7.350 -2.744 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -2.423 -8.130 -3.115 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -0.211 -7.484 -2.973 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 0.418 -6.351 -2.360 0.00 0.00 -0.053 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.969 -2.335 0.531 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -3.949 -1.852 -0.347 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -5.190 -1.462 0.146 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -6.390 -0.839 -0.909 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -5.428 -1.578 1.506 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -4.520 -2.061 2.387 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -3.325 -2.443 1.875 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 3.113 0.829 0.771 0.00 0.00 +0.112 C ATOM 25 N LIG 1 2.010 0.134 1.501 0.00 0.00 -0.294 N ATOM 26 C LIG 1 2.599 -0.370 2.776 0.00 0.00 +0.108 C ATOM 27 C LIG 1 4.066 0.054 2.780 0.00 0.00 +0.021 C ATOM 28 C LIG 1 4.396 0.189 1.305 0.00 0.00 +0.029 C BRANCH 24 30 ATOM 29 C LIG 1 2.819 2.348 -1.337 0.00 0.00 +0.089 A ATOM 30 C LIG 1 3.083 1.087 -0.707 0.00 0.00 +0.038 A ATOM 31 C LIG 1 3.345 0.257 -1.783 0.00 0.00 +0.139 A ATOM 32 C LIG 1 3.744 -1.151 -1.978 0.00 0.00 +0.089 C ATOM 33 O LIG 1 3.196 0.952 -2.943 0.00 0.00 -0.359 OA ATOM 34 N LIG 1 2.871 2.258 -2.669 0.00 0.00 -0.083 NA BRANCH 29 36 ATOM 35 C LIG 1 3.808 4.462 -0.435 0.00 0.00 +0.010 C ATOM 36 C LIG 1 2.536 3.676 -0.717 0.00 0.00 +0.056 C ENDBRANCH 29 36 ENDBRANCH 24 30 ENDBRANCH 1 25 BRANCH 2 37 ATOM 37 C LIG 1 -0.921 0.109 1.467 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 -1.668 0.970 0.429 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -0.693 1.865 -0.356 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -1.397 3.083 -0.938 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.937 3.997 0.175 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -3.083 4.857 -0.359 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -2.361 3.210 1.430 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -2.795 1.786 1.097 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 7