REMARK Name = BDB029144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.390 -2.313 2.510 0.00 0.00 +0.153 C ATOM 2 N LIG 1 -2.284 -2.080 1.610 0.00 0.00 -0.302 N ATOM 3 C LIG 1 -2.447 -1.109 0.616 0.00 0.00 +0.263 A ATOM 4 O LIG 1 -3.480 -0.467 0.460 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -1.271 -0.948 -0.212 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -0.942 -0.121 -1.319 0.00 0.00 +0.014 A ATOM 7 C LIG 1 0.359 -0.440 -1.675 0.00 0.00 +0.097 A ATOM 8 N LIG 1 0.817 -1.418 -0.827 0.00 0.00 -0.322 N ATOM 9 C LIG 1 -0.175 -1.734 0.058 0.00 0.00 +0.149 A ATOM 10 N LIG 1 -0.036 -2.659 1.033 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 -1.102 -2.788 1.762 0.00 0.00 +0.204 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -1.750 0.845 -2.038 0.00 0.00 -0.013 A ATOM 13 C LIG 1 -1.283 2.149 -2.260 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -2.082 3.085 -2.931 0.00 0.00 +0.080 A ATOM 15 C LIG 1 -3.364 2.720 -3.366 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -3.813 1.407 -3.176 0.00 0.00 +0.084 A ATOM 17 CL LIG 1 -5.369 0.901 -3.727 0.00 0.00 -0.080 Cl ATOM 18 C LIG 1 -3.012 0.476 -2.516 0.00 0.00 +0.032 A BRANCH 14 19 ATOM 19 C LIG 1 -1.503 4.434 -3.167 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -0.672 4.929 -2.419 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -1.911 5.076 -4.304 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -2.253 4.517 -5.077 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -1.344 5.874 -4.564 0.00 0.00 +0.145 HD ENDBRANCH 14 19 BRANCH 15 24 ATOM 24 O LIG 1 -4.211 3.628 -3.960 0.00 0.00 -0.505 OA ATOM 25 H LIG 1 -3.909 4.535 -3.748 0.00 0.00 +0.292 HD ENDBRANCH 15 24 ENDBRANCH 6 12 BRANCH 8 26 ATOM 26 C LIG 1 2.095 -2.111 -0.928 0.00 0.00 +0.219 C BRANCH 26 27 ATOM 27 C LIG 1 3.155 -1.713 0.087 0.00 0.00 +0.237 C ATOM 28 N LIG 1 2.706 -1.352 1.342 0.00 0.00 -0.283 N ATOM 29 H LIG 1 1.716 -1.494 1.535 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 4.343 -1.824 -0.217 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 3.474 -0.978 2.474 0.00 0.00 +0.052 A ATOM 32 C LIG 1 2.807 -0.751 3.696 0.00 0.00 +0.065 A ATOM 33 CL LIG 1 1.083 -0.867 3.814 0.00 0.00 -0.082 Cl ATOM 34 C LIG 1 3.513 -0.406 4.849 0.00 0.00 +0.060 A ATOM 35 C LIG 1 4.890 -0.271 4.786 0.00 0.00 +0.125 A ATOM 36 F LIG 1 5.573 0.045 5.893 0.00 0.00 -0.205 F ATOM 37 C LIG 1 5.572 -0.478 3.598 0.00 0.00 +0.040 A ATOM 38 C LIG 1 4.865 -0.827 2.442 0.00 0.00 +0.027 A ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 6