REMARK Name = BDB019263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.283 0.058 -0.771 0.00 0.00 -0.029 A ATOM 2 C LIG 1 4.223 0.607 -0.012 0.00 0.00 +0.034 A ATOM 3 C LIG 1 2.977 -0.038 0.035 0.00 0.00 +0.090 A ATOM 4 N LIG 1 1.834 0.318 0.708 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 0.947 -0.610 0.414 0.00 0.00 +0.116 A ATOM 6 C LIG 1 -0.462 -0.686 0.907 0.00 0.00 +0.082 C ATOM 7 C LIG 1 -1.341 0.490 0.449 0.00 0.00 +0.068 C ATOM 8 C LIG 1 -2.757 -0.089 0.675 0.00 0.00 +0.134 C ATOM 9 C LIG 1 -3.860 0.653 -0.046 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -4.760 1.175 0.886 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -5.866 1.911 0.520 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -6.064 2.120 -0.845 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -5.175 1.598 -1.801 0.00 0.00 +0.020 A ATOM 14 CL LIG 1 -7.428 3.030 -1.371 0.00 0.00 -0.083 Cl ATOM 15 N LIG 1 -4.379 0.827 2.174 0.00 0.00 -0.283 N ATOM 16 H LIG 1 -4.876 1.063 3.020 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -4.060 0.853 -1.402 0.00 0.00 +0.009 A ATOM 18 N LIG 1 -2.650 -1.510 0.232 0.00 0.00 -0.281 NA ATOM 19 C LIG 1 -3.220 0.055 2.173 0.00 0.00 +0.243 C ATOM 20 O LIG 1 -2.701 -0.429 3.167 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -1.242 -1.927 0.405 0.00 0.00 +0.071 C ATOM 22 C LIG 1 -0.725 -2.436 -0.954 0.00 0.00 +0.041 C ATOM 23 C LIG 1 0.771 -2.711 -0.900 0.00 0.00 +0.125 C ATOM 24 N LIG 1 1.493 -1.556 -0.416 0.00 0.00 -0.327 N ATOM 25 C LIG 1 2.794 -1.218 -0.675 0.00 0.00 +0.069 A ATOM 26 C LIG 1 3.808 -1.802 -1.436 0.00 0.00 +0.028 A ATOM 27 C LIG 1 5.047 -1.142 -1.467 0.00 0.00 +0.007 A ENDROOT BRANCH 7 28 ATOM 28 C LIG 1 -1.077 1.857 1.064 0.00 0.00 -0.004 A ATOM 29 C LIG 1 -1.292 3.007 0.287 0.00 0.00 +0.145 A ATOM 30 F LIG 1 -1.710 2.870 -0.982 0.00 0.00 -0.204 F ATOM 31 C LIG 1 -1.085 4.286 0.806 0.00 0.00 +0.076 A ATOM 32 CL LIG 1 -1.368 5.683 -0.162 0.00 0.00 -0.081 Cl ATOM 33 C LIG 1 -0.651 4.442 2.120 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -0.425 3.315 2.907 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -0.637 2.034 2.385 0.00 0.00 +0.007 A ENDBRANCH 7 28 BRANCH 1 37 ATOM 36 C LIG 1 7.236 0.813 0.621 0.00 0.00 +0.027 C ATOM 37 C LIG 1 6.637 0.790 -0.803 0.00 0.00 +0.087 C ATOM 38 C LIG 1 7.697 0.127 -1.713 0.00 0.00 +0.027 C BRANCH 37 39 ATOM 39 C LIG 1 6.442 2.208 -1.365 0.00 0.00 +0.315 C ATOM 40 O LIG 1 6.252 2.500 -2.537 0.00 0.00 -0.250 OA BRANCH 39 41 ATOM 41 O LIG 1 6.468 3.189 -0.441 0.00 0.00 -0.480 OA ATOM 42 H LIG 1 6.282 4.000 -0.961 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 37 39 ENDBRANCH 1 37 BRANCH 18 43 ATOM 43 C LIG 1 -3.633 -2.417 0.829 0.00 0.00 +0.089 C BRANCH 43 44 ATOM 44 C LIG 1 -3.722 -3.687 0.032 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -4.324 -3.685 -1.352 0.00 0.00 +0.005 C ATOM 46 C LIG 1 -5.061 -4.338 -0.218 0.00 0.00 +0.005 C ENDBRANCH 43 44 ENDBRANCH 18 43 TORSDOF 6