REMARK Name = BDB019785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.702 0.656 -1.143 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.045 1.885 -1.013 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.358 1.949 -1.011 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.090 0.757 -1.146 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.445 -0.479 -1.303 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.044 -0.519 -1.293 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.049 3.234 -0.861 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.218 4.144 -1.920 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -1.704 3.848 -3.302 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -2.850 5.338 -1.776 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -3.337 5.641 -0.558 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -3.962 6.819 -0.415 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -3.231 4.815 0.543 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -2.577 3.597 0.387 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.870 1.512 -0.435 0.00 0.00 -0.307 N ATOM 16 H LIG 1 2.362 2.084 0.223 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 2.187 0.554 -1.154 0.00 0.00 +0.244 C ATOM 18 O LIG 1 2.731 -0.363 -1.758 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 4.303 1.432 -0.251 0.00 0.00 +0.139 C BRANCH 19 26 ATOM 20 C LIG 1 4.779 -2.614 2.705 0.00 0.00 +0.045 C ATOM 21 C LIG 1 4.856 -1.122 2.543 0.00 0.00 -0.032 A ATOM 22 C LIG 1 5.198 -0.275 3.607 0.00 0.00 +0.044 A ATOM 23 CL LIG 1 5.559 -0.897 5.178 0.00 0.00 -0.083 Cl ATOM 24 C LIG 1 5.253 1.109 3.425 0.00 0.00 +0.020 A ATOM 25 C LIG 1 4.970 1.667 2.177 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.635 0.843 1.097 0.00 0.00 -0.030 A ATOM 27 C LIG 1 4.576 -0.547 1.292 0.00 0.00 +0.010 A ENDBRANCH 19 26 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -2.243 -1.753 -1.431 0.00 0.00 +0.138 C BRANCH 28 29 ATOM 29 N LIG 1 -2.451 -2.322 -0.122 0.00 0.00 -0.329 N ATOM 30 H LIG 1 -2.580 -1.649 0.628 0.00 0.00 +0.147 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.146 -3.472 0.103 0.00 0.00 +0.090 C ATOM 32 C LIG 1 -3.296 -4.547 -0.934 0.00 0.00 +0.073 C ATOM 33 C LIG 1 -3.685 -5.699 -0.041 0.00 0.00 +0.031 C ATOM 34 C LIG 1 -4.399 -5.001 1.100 0.00 0.00 +0.143 C ATOM 35 N LIG 1 -3.741 -3.687 1.238 0.00 0.00 -0.273 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7