REMARK Name = BDB010584 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.022 -0.035 1.370 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.115 -0.293 0.356 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.518 -1.482 0.656 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -0.037 -1.803 1.915 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.430 -2.872 2.627 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -1.351 -3.608 1.996 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -1.879 -3.387 0.772 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -1.459 -2.313 0.065 0.00 0.00 +0.101 A ATOM 9 N LIG 1 0.878 -0.898 2.351 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.852 -4.801 2.711 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -1.309 -5.030 3.936 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -1.930 -6.160 4.364 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -1.739 -6.724 5.427 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -2.796 -6.524 3.372 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -3.405 -7.331 3.391 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -2.747 -5.663 2.323 0.00 0.00 -0.127 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.038 -2.146 -1.261 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -1.273 -2.365 -2.417 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -1.838 -2.198 -3.681 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 -0.871 -2.444 -5.083 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 -3.174 -1.829 -3.818 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.954 -1.635 -2.680 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.391 -1.799 -1.412 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 2.987 1.223 0.437 0.00 0.00 +0.107 C ATOM 25 N LIG 1 1.840 1.045 1.377 0.00 0.00 -0.295 N ATOM 26 C LIG 1 2.183 1.609 2.683 0.00 0.00 +0.108 C ATOM 27 C LIG 1 3.130 2.740 2.324 0.00 0.00 +0.021 C ATOM 28 C LIG 1 3.979 2.105 1.238 0.00 0.00 +0.027 C BRANCH 24 29 ATOM 29 C LIG 1 3.643 -0.071 -0.186 0.00 0.00 +0.082 C ATOM 30 C LIG 1 4.093 -1.088 0.879 0.00 0.00 +0.043 C ATOM 31 C LIG 1 4.872 0.358 -1.019 0.00 0.00 +0.043 C BRANCH 29 33 ATOM 32 C LIG 1 2.920 -1.935 -1.600 0.00 0.00 +0.194 C ATOM 33 O LIG 1 2.675 -0.625 -1.111 0.00 0.00 -0.375 OA ENDBRANCH 29 33 ENDBRANCH 24 29 ENDBRANCH 1 25 BRANCH 2 34 ATOM 34 C LIG 1 -0.202 0.593 -0.750 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.502 1.397 -0.547 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -1.962 2.041 -1.872 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -1.503 3.490 -2.002 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -2.060 4.378 -0.874 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -3.325 5.115 -1.315 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -2.332 3.588 0.418 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.345 2.439 0.580 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 7