REMARK Name = BDB006250 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.792 1.067 -0.540 0.00 0.00 -0.232 N ATOM 2 C LIG 1 -2.610 -0.325 -0.659 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -1.245 -0.477 -0.795 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -0.164 -1.481 -0.974 0.00 0.00 +0.146 C ATOM 5 N LIG 1 1.045 -0.619 -0.921 0.00 0.00 -0.251 N ATOM 6 C LIG 1 0.746 0.761 -0.815 0.00 0.00 +0.272 C ATOM 7 O LIG 1 1.489 1.728 -0.885 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.697 0.794 -0.705 0.00 0.00 +0.154 A ATOM 9 N LIG 1 -1.600 1.746 -0.529 0.00 0.00 -0.161 NA ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -0.267 -2.478 0.170 0.00 0.00 -0.019 A ATOM 11 C LIG 1 -0.630 -3.829 -0.056 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -0.933 -4.360 -1.431 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -0.699 -4.719 1.032 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -0.421 -4.287 2.327 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -0.517 -5.397 3.638 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -0.066 -2.966 2.563 0.00 0.00 +0.020 A ATOM 17 C LIG 1 0.012 -2.072 1.495 0.00 0.00 +0.007 A ENDBRANCH 4 10 BRANCH 5 18 ATOM 18 C LIG 1 2.361 -1.155 -0.987 0.00 0.00 +0.081 A ATOM 19 C LIG 1 3.417 -0.637 -0.201 0.00 0.00 +0.142 A ATOM 20 C LIG 1 4.705 -1.173 -0.334 0.00 0.00 +0.049 A ATOM 21 C LIG 1 4.947 -2.230 -1.213 0.00 0.00 +0.024 A ATOM 22 C LIG 1 3.899 -2.767 -1.950 0.00 0.00 +0.043 A ATOM 23 CL LIG 1 4.191 -4.084 -3.018 0.00 0.00 -0.083 Cl ATOM 24 C LIG 1 2.613 -2.243 -1.837 0.00 0.00 +0.047 A BRANCH 19 25 ATOM 25 O LIG 1 3.079 0.284 0.756 0.00 0.00 -0.489 OA BRANCH 25 26 ATOM 26 C LIG 1 4.099 1.097 1.347 0.00 0.00 +0.244 C BRANCH 26 27 ATOM 27 C LIG 1 4.569 2.208 0.392 0.00 0.00 +0.124 C BRANCH 27 28 ATOM 28 N LIG 1 5.649 3.047 0.953 0.00 0.00 -0.305 NA ATOM 29 C LIG 1 5.766 4.284 0.174 0.00 0.00 +0.104 C ATOM 30 C LIG 1 6.933 2.343 0.952 0.00 0.00 +0.104 C ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 5 18 BRANCH 1 32 ATOM 31 C LIG 1 -4.241 2.795 0.398 0.00 0.00 +0.145 A ATOM 32 C LIG 1 -3.985 1.823 -0.578 0.00 0.00 +0.107 A ATOM 33 C LIG 1 -4.872 1.659 -1.649 0.00 0.00 +0.031 A ATOM 34 C LIG 1 -6.035 2.430 -1.715 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -6.310 3.367 -0.720 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -5.417 3.548 0.337 0.00 0.00 +0.048 A BRANCH 31 38 ATOM 37 C LIG 1 -2.702 4.154 1.442 0.00 0.00 +0.277 C ATOM 38 O LIG 1 -3.425 2.922 1.491 0.00 0.00 -0.493 OA ENDBRANCH 31 38 ENDBRANCH 1 32 BRANCH 2 39 ATOM 39 C LIG 1 -3.654 -1.405 -0.514 0.00 0.00 +0.032 C ATOM 40 C LIG 1 -4.264 -1.835 -1.845 0.00 0.00 +0.014 C ATOM 41 C LIG 1 -4.719 -1.127 0.544 0.00 0.00 +0.014 C ENDBRANCH 2 39 TORSDOF 9