REMARK Name = BDB062783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.358 0.478 -1.403 0.00 0.00 +0.033 A ATOM 2 C LIG 1 1.758 0.456 -1.329 0.00 0.00 +0.035 A ATOM 3 C LIG 1 2.487 -0.741 -1.175 0.00 0.00 +0.025 A ATOM 4 C LIG 1 3.962 -0.722 -1.072 0.00 0.00 +0.085 A ATOM 5 N LIG 1 4.593 0.531 -1.147 0.00 0.00 -0.332 N ATOM 6 H LIG 1 5.207 0.505 -1.970 0.00 0.00 +0.147 HD ATOM 7 C LIG 1 5.436 1.012 -0.019 0.00 0.00 +0.146 C ATOM 8 C LIG 1 6.726 0.187 0.192 0.00 0.00 +0.300 C ATOM 9 F LIG 1 7.391 0.649 1.290 0.00 0.00 -0.200 F ATOM 10 F LIG 1 7.565 0.426 -0.862 0.00 0.00 -0.200 F ATOM 11 C LIG 1 6.526 -1.318 0.330 0.00 0.00 +0.306 C ATOM 12 O LIG 1 6.012 -1.927 -0.861 0.00 0.00 -0.479 OA ATOM 13 C LIG 1 4.625 -1.884 -0.921 0.00 0.00 +0.207 A ATOM 14 C LIG 1 3.906 -3.198 -0.861 0.00 0.00 +0.295 A ATOM 15 N LIG 1 2.522 -3.177 -0.970 0.00 0.00 -0.308 N ATOM 16 C LIG 1 1.811 -4.446 -0.919 0.00 0.00 +0.152 C ATOM 17 O LIG 1 4.559 -4.230 -0.695 0.00 0.00 -0.264 OA ATOM 18 C LIG 1 1.795 -1.960 -1.123 0.00 0.00 +0.054 A ATOM 19 C LIG 1 0.397 -1.947 -1.231 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -0.306 -0.746 -1.376 0.00 0.00 +0.025 A ENDROOT BRANCH 7 21 ATOM 21 C LIG 1 4.588 1.126 1.232 0.00 0.00 +0.015 C ATOM 22 C LIG 1 3.607 2.265 1.383 0.00 0.00 +0.006 C ATOM 23 C LIG 1 4.841 2.222 2.239 0.00 0.00 +0.006 C ENDBRANCH 7 21 BRANCH 1 24 ATOM 24 N LIG 1 -0.297 1.710 -1.590 0.00 0.00 -0.298 N ATOM 25 H LIG 1 0.323 2.508 -1.492 0.00 0.00 +0.154 HD BRANCH 24 28 ATOM 26 C LIG 1 -3.710 1.588 -0.355 0.00 0.00 +0.220 A ATOM 27 N LIG 1 -2.442 1.232 -0.622 0.00 0.00 -0.198 NA ATOM 28 C LIG 1 -1.631 2.087 -1.280 0.00 0.00 +0.147 A ATOM 29 C LIG 1 -2.093 3.327 -1.697 0.00 0.00 +0.099 A ATOM 30 CL LIG 1 -1.115 4.472 -2.526 0.00 0.00 -0.078 Cl ATOM 31 C LIG 1 -3.400 3.616 -1.392 0.00 0.00 +0.137 A ATOM 32 N LIG 1 -4.215 2.773 -0.731 0.00 0.00 -0.221 NA BRANCH 26 36 ATOM 33 C LIG 1 -8.207 0.104 1.046 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -6.726 -0.217 0.854 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -5.912 1.052 0.564 0.00 0.00 +0.111 C ATOM 36 N LIG 1 -4.521 0.703 0.317 0.00 0.00 -0.299 N ATOM 37 C LIG 1 -3.941 -0.479 0.939 0.00 0.00 +0.108 C ATOM 38 C LIG 1 -4.661 -0.792 2.248 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -6.168 -0.978 2.066 0.00 0.00 +0.006 C ENDBRANCH 26 36 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 4