REMARK Name = BDB031009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.066 0.085 0.264 0.00 0.00 +0.216 A ATOM 2 N LIG 1 -0.256 -0.095 0.250 0.00 0.00 -0.214 NA ATOM 3 C LIG 1 -0.956 0.298 1.339 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -0.376 0.901 2.432 0.00 0.00 +0.099 A ATOM 5 C LIG 1 0.987 1.052 2.341 0.00 0.00 +0.129 A ATOM 6 N LIG 1 1.716 0.662 1.278 0.00 0.00 -0.222 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.382 0.038 1.238 0.00 0.00 +0.026 A ATOM 8 C LIG 1 -3.316 0.500 0.259 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -4.575 -0.046 0.559 0.00 0.00 +0.059 A ATOM 10 C LIG 1 -5.727 0.213 -0.227 0.00 0.00 +0.053 A ATOM 11 C LIG 1 -5.543 1.090 -1.331 0.00 0.00 +0.064 A ATOM 12 C LIG 1 -4.295 1.640 -1.635 0.00 0.00 +0.020 A ATOM 13 N LIG 1 -4.383 -0.803 1.698 0.00 0.00 -0.359 N ATOM 14 H LIG 1 -5.092 -1.316 2.197 0.00 0.00 +0.165 HD ATOM 15 C LIG 1 -3.180 1.349 -0.855 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -3.073 -0.786 2.095 0.00 0.00 +0.093 A BRANCH 10 17 ATOM 17 P LIG 1 -7.334 -0.457 0.088 0.00 0.00 +0.114 P ATOM 18 O LIG 1 -8.425 0.576 0.203 0.00 0.00 -0.317 OA ATOM 19 C LIG 1 -7.432 -1.523 1.531 0.00 0.00 +0.086 C ATOM 20 C LIG 1 -7.731 -1.638 -1.218 0.00 0.00 +0.086 C ENDBRANCH 10 17 BRANCH 11 21 ATOM 21 C LIG 1 -6.632 1.434 -2.206 0.00 0.00 +0.100 C ATOM 22 N LIG 1 -7.467 1.692 -2.970 0.00 0.00 -0.191 NA ENDBRANCH 11 21 ENDBRANCH 3 7 BRANCH 4 23 ATOM 23 C LIG 1 -1.120 1.367 3.628 0.00 0.00 +0.421 C ATOM 24 F LIG 1 -1.550 0.345 4.420 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -0.364 2.156 4.446 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -2.220 2.113 3.336 0.00 0.00 -0.166 F ENDBRANCH 4 23 BRANCH 1 27 ATOM 27 N LIG 1 1.744 -0.360 -0.859 0.00 0.00 -0.311 N ATOM 28 H LIG 1 1.038 -0.457 -1.582 0.00 0.00 +0.149 HD BRANCH 27 31 ATOM 29 C LIG 1 5.455 0.559 -0.848 0.00 0.00 +0.078 C ATOM 30 C LIG 1 4.182 -0.251 -0.545 0.00 0.00 +0.044 C ATOM 31 C LIG 1 2.954 0.367 -1.224 0.00 0.00 +0.075 C ATOM 32 C LIG 1 3.123 0.312 -2.757 0.00 0.00 +0.022 C ATOM 33 C LIG 1 4.574 0.469 -3.223 0.00 0.00 +0.004 C ATOM 34 C LIG 1 5.412 1.251 -2.220 0.00 0.00 +0.022 C BRANCH 29 36 ATOM 35 C LIG 1 7.208 -0.605 0.448 0.00 0.00 +0.400 C ATOM 36 N LIG 1 6.629 -0.293 -0.745 0.00 0.00 -0.278 N ATOM 37 H LIG 1 6.880 -0.908 -1.507 0.00 0.00 +0.152 HD ATOM 38 O LIG 1 6.928 -0.107 1.528 0.00 0.00 -0.226 OA BRANCH 35 40 ATOM 39 C LIG 1 8.814 -1.978 1.433 0.00 0.00 +0.282 C ATOM 40 O LIG 1 8.140 -1.567 0.244 0.00 0.00 -0.454 OA ENDBRANCH 35 40 ENDBRANCH 29 36 ENDBRANCH 27 31 ENDBRANCH 1 27 TORSDOF 8