REMARK Name = BDB028065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.130 -1.281 -1.175 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.767 -0.445 -2.261 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.440 -0.015 -2.455 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.492 -0.438 -1.529 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.030 -0.134 -1.448 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.391 -0.828 -0.246 0.00 0.00 -0.248 N ATOM 7 C LIG 1 0.662 -1.515 0.357 0.00 0.00 +0.253 C ATOM 8 O LIG 1 0.717 -2.209 1.355 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.853 -1.258 -0.465 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.149 -1.697 -0.265 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.704 -0.766 0.268 0.00 0.00 +0.130 A ATOM 12 N LIG 1 -1.964 -1.385 1.431 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -3.197 -1.325 1.949 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -4.226 -0.628 1.334 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -4.013 0.029 0.113 0.00 0.00 -0.030 A ATOM 16 C LIG 1 -2.704 -0.064 -0.405 0.00 0.00 +0.048 A BRANCH 15 17 ATOM 17 C LIG 1 -5.175 0.894 -0.638 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -6.628 0.331 -0.562 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -6.493 -0.276 -1.870 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.359 0.584 -2.160 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -4.981 2.365 -0.229 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -5.943 3.347 -0.799 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -6.947 3.981 -0.110 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -7.295 3.838 1.278 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -7.557 4.805 -1.005 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -6.969 4.694 -2.173 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -5.946 3.789 -2.039 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 15 17 BRANCH 13 28 ATOM 28 N LIG 1 -3.367 -1.988 3.171 0.00 0.00 -0.322 N ATOM 29 H LIG 1 -2.466 -2.451 3.330 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.505 -2.813 3.473 0.00 0.00 +0.123 C ATOM 31 C LIG 1 -4.472 -4.204 2.818 0.00 0.00 +0.184 C ATOM 32 O LIG 1 -4.635 -4.852 4.107 0.00 0.00 -0.376 OA ATOM 33 C LIG 1 -4.365 -3.595 4.785 0.00 0.00 +0.184 C ENDBRANCH 28 30 ENDBRANCH 13 28 ENDBRANCH 6 11 BRANCH 3 34 ATOM 34 C LIG 1 2.059 0.889 -3.596 0.00 0.00 +0.418 C ATOM 35 F LIG 1 1.020 0.386 -4.318 0.00 0.00 -0.166 F ATOM 36 F LIG 1 1.647 2.112 -3.163 0.00 0.00 -0.166 F ATOM 37 F LIG 1 3.062 1.116 -4.485 0.00 0.00 -0.166 F ENDBRANCH 3 34 BRANCH 1 38 ATOM 38 C LIG 1 5.573 -1.710 -0.997 0.00 0.00 +0.119 C BRANCH 38 46 ATOM 39 C LIG 1 10.289 -0.243 -0.757 0.00 0.00 +0.015 C ATOM 40 C LIG 1 8.896 -0.169 -0.134 0.00 0.00 +0.069 C ATOM 41 C LIG 1 8.417 1.264 0.018 0.00 0.00 +0.254 C ATOM 42 F LIG 1 9.297 1.967 0.780 0.00 0.00 -0.205 F ATOM 43 F LIG 1 8.406 1.876 -1.198 0.00 0.00 -0.205 F ATOM 44 C LIG 1 7.037 1.363 0.650 0.00 0.00 +0.091 C ATOM 45 C LIG 1 6.266 0.045 0.564 0.00 0.00 +0.090 C ATOM 46 N LIG 1 6.475 -0.580 -0.740 0.00 0.00 -0.298 NA ATOM 47 C LIG 1 7.879 -0.965 -0.967 0.00 0.00 +0.093 C ENDBRANCH 38 46 ENDBRANCH 1 38 TORSDOF 9