REMARK Name = BDB005479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.873 -1.170 -0.416 0.00 0.00 +0.149 A ATOM 2 N LIG 1 0.959 -0.646 0.504 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.264 -0.849 -0.055 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.684 -0.568 0.226 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.310 -1.238 -0.961 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.338 -1.800 -1.845 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.486 -2.410 -2.890 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.070 -1.522 -1.214 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.244 -1.752 -1.436 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.726 -1.352 -1.122 0.00 0.00 +0.038 A ATOM 11 C LIG 1 -4.608 -0.965 -0.095 0.00 0.00 +0.029 A ATOM 12 C LIG 1 -6.003 -1.071 -0.234 0.00 0.00 -0.014 A ATOM 13 C LIG 1 -6.924 -0.619 0.859 0.00 0.00 +0.047 C ATOM 14 C LIG 1 -6.521 -1.555 -1.432 0.00 0.00 +0.126 A ATOM 15 F LIG 1 -7.848 -1.645 -1.602 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -5.681 -1.948 -2.461 0.00 0.00 +0.040 A ATOM 17 C LIG 1 -4.294 -1.849 -2.304 0.00 0.00 +0.026 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.960 0.925 0.318 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -1.878 1.763 -0.809 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -2.112 3.136 -0.696 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -2.427 3.685 0.544 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -2.711 5.376 0.684 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -2.509 2.874 1.673 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.275 1.501 1.561 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 28 ATOM 25 C LIG 1 6.021 -1.180 -0.083 0.00 0.00 +0.321 A ATOM 26 N LIG 1 5.450 -0.018 -0.435 0.00 0.00 -0.159 NA ATOM 27 C LIG 1 4.106 -0.035 -0.555 0.00 0.00 +0.231 A ATOM 28 C LIG 1 3.321 -1.144 -0.297 0.00 0.00 +0.097 A ATOM 29 C LIG 1 4.028 -2.282 0.025 0.00 0.00 +0.133 A ATOM 30 N LIG 1 5.369 -2.324 0.161 0.00 0.00 -0.202 NA BRANCH 25 32 ATOM 31 C LIG 1 8.059 -0.062 -0.306 0.00 0.00 +0.280 C ATOM 32 O LIG 1 7.387 -1.253 0.078 0.00 0.00 -0.466 OA ENDBRANCH 25 32 BRANCH 27 33 ATOM 33 O LIG 1 3.461 1.128 -0.939 0.00 0.00 -0.479 OA ATOM 34 C LIG 1 4.347 2.160 -1.360 0.00 0.00 +0.279 C ENDBRANCH 27 33 ENDBRANCH 1 28 BRANCH 2 35 ATOM 35 C LIG 1 1.183 -0.062 1.822 0.00 0.00 +0.083 C ATOM 36 C LIG 1 2.054 -0.918 2.742 0.00 0.00 +0.030 C ATOM 37 C LIG 1 1.668 1.384 1.765 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 6