REMARK Name = BDB009443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.342 0.457 -0.249 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.295 1.370 -1.298 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.706 1.347 -2.190 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.296 2.325 -1.444 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.367 2.352 -0.548 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.453 1.412 0.491 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.426 0.468 0.639 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 6.491 1.435 1.689 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 6.184 0.613 0.830 0.00 0.00 +0.248 C ATOM 10 N LIG 1 4.868 0.355 0.459 0.00 0.00 -0.294 N ATOM 11 C LIG 1 3.817 1.177 1.065 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.505 1.141 0.271 0.00 0.00 +0.127 C ATOM 13 N LIG 1 2.022 -0.228 0.039 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.685 -0.588 -0.091 0.00 0.00 +0.249 C ATOM 15 O LIG 1 0.297 -1.754 -0.049 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 3.017 -1.298 0.118 0.00 0.00 +0.127 C ATOM 17 C LIG 1 4.422 -0.832 -0.288 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 7.277 -0.125 0.174 0.00 0.00 +0.055 A ATOM 19 C LIG 1 7.396 -0.164 -1.209 0.00 0.00 +0.125 A ATOM 20 N LIG 1 8.389 -0.816 -1.859 0.00 0.00 -0.243 NA ATOM 21 C LIG 1 9.316 -1.419 -1.084 0.00 0.00 +0.129 A ATOM 22 CL LIG 1 10.556 -2.227 -1.949 0.00 0.00 -0.062 Cl ATOM 23 C LIG 1 9.306 -1.409 0.302 0.00 0.00 +0.041 A ATOM 24 C LIG 1 8.265 -0.741 0.944 0.00 0.00 +0.017 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -3.622 1.425 1.451 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 -4.977 1.346 0.754 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -5.448 0.042 0.187 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -4.630 -1.210 0.334 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -5.411 -2.487 0.006 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.242 -2.312 -1.258 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -7.235 -1.158 -1.105 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -6.633 0.054 -0.449 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -7.419 1.310 -0.536 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -8.511 1.354 -1.094 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -6.854 2.412 0.046 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -7.378 3.280 -0.002 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -5.652 2.455 0.679 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4