REMARK Name = BDB007386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.814 -1.891 -0.319 0.00 0.00 +0.150 C ATOM 2 C LIG 1 -1.024 -0.855 0.794 0.00 0.00 +0.069 C ATOM 3 C LIG 1 -2.409 -0.224 0.435 0.00 0.00 +0.098 C ATOM 4 C LIG 1 -3.568 -0.494 1.382 0.00 0.00 -0.009 A ATOM 5 C LIG 1 -4.027 0.715 1.906 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -5.069 0.795 2.805 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -5.672 -0.404 3.180 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -5.234 -1.635 2.659 0.00 0.00 +0.020 A ATOM 9 CL LIG 1 -6.981 -0.380 4.300 0.00 0.00 -0.083 Cl ATOM 10 N LIG 1 -3.289 1.767 1.393 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -3.401 2.743 1.630 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -4.173 -1.686 1.749 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -2.297 1.326 0.526 0.00 0.00 +0.230 C ATOM 14 O LIG 1 -1.496 2.051 -0.040 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 -2.731 -0.737 -1.001 0.00 0.00 +0.075 C ATOM 16 N LIG 1 -1.436 -1.228 -1.487 0.00 0.00 -0.301 NA ATOM 17 H LIG 1 -1.528 -1.906 -2.245 0.00 0.00 +0.123 HD ENDROOT BRANCH 2 18 ATOM 18 C LIG 1 -0.849 -1.332 2.230 0.00 0.00 -0.004 A ATOM 19 C LIG 1 -0.671 -0.373 3.244 0.00 0.00 +0.145 A ATOM 20 F LIG 1 -0.633 0.925 2.907 0.00 0.00 -0.204 F ATOM 21 C LIG 1 -0.526 -0.740 4.582 0.00 0.00 +0.076 A ATOM 22 CL LIG 1 -0.327 0.458 5.804 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 -0.544 -2.085 4.938 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -0.705 -3.055 3.950 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -0.856 -2.684 2.608 0.00 0.00 +0.007 A ENDBRANCH 2 18 BRANCH 1 28 ATOM 26 N LIG 1 1.646 -1.944 0.146 0.00 0.00 -0.308 N ATOM 27 H LIG 1 1.470 -1.253 0.866 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 0.623 -2.303 -0.702 0.00 0.00 +0.231 C ATOM 29 O LIG 1 0.833 -2.977 -1.713 0.00 0.00 -0.274 OA BRANCH 26 35 ATOM 30 N LIG 1 5.527 1.060 -0.942 0.00 0.00 -0.299 N ATOM 31 H LIG 1 4.693 1.220 -1.489 0.00 0.00 +0.150 HD ATOM 32 C LIG 1 5.369 0.244 0.150 0.00 0.00 +0.302 C ATOM 33 N LIG 1 4.292 -0.599 0.051 0.00 0.00 -0.282 N ATOM 34 C LIG 1 4.087 -1.795 0.864 0.00 0.00 +0.133 C ATOM 35 C LIG 1 3.067 -2.238 -0.202 0.00 0.00 +0.108 C ATOM 36 C LIG 1 3.709 -1.200 -1.146 0.00 0.00 +0.133 C ATOM 37 O LIG 1 6.116 0.255 1.123 0.00 0.00 -0.253 OA BRANCH 30 38 ATOM 38 C LIG 1 6.567 2.068 -0.990 0.00 0.00 +0.106 C BRANCH 38 39 ATOM 39 C LIG 1 6.179 3.330 -0.219 0.00 0.00 +0.018 C BRANCH 39 41 ATOM 40 C LIG 1 6.897 5.655 0.444 0.00 0.00 +0.004 C ATOM 41 C LIG 1 7.278 4.389 -0.305 0.00 0.00 -0.002 C ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 30 38 ENDBRANCH 26 35 ENDBRANCH 1 28 BRANCH 15 42 ATOM 42 C LIG 1 -3.391 0.290 -1.946 0.00 0.00 +0.026 C BRANCH 42 43 ATOM 43 C LIG 1 -4.077 -0.232 -3.244 0.00 0.00 -0.036 C ATOM 44 C LIG 1 -5.228 -1.198 -2.914 0.00 0.00 +0.010 C ATOM 45 C LIG 1 -3.096 -0.924 -4.199 0.00 0.00 +0.010 C ATOM 46 C LIG 1 -4.672 0.992 -3.977 0.00 0.00 +0.010 C ENDBRANCH 42 43 ENDBRANCH 15 42 TORSDOF 8