REMARK Name = BDB055496 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.303 1.620 -0.216 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.032 0.601 -1.128 0.00 0.00 +0.046 A ATOM 3 C LIG 1 0.289 0.219 -1.385 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.356 0.852 -0.736 0.00 0.00 -0.045 A ATOM 5 C LIG 1 1.079 1.871 0.182 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.241 2.250 0.437 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -2.541 2.087 0.129 0.00 0.00 -0.488 OA BRANCH 7 8 ATOM 8 C LIG 1 -3.663 1.523 -0.552 0.00 0.00 +0.276 C BRANCH 8 17 ATOM 9 C LIG 1 -9.032 -2.237 -1.505 0.00 0.00 +0.048 C ATOM 10 C LIG 1 -8.045 -1.487 -0.645 0.00 0.00 -0.002 A ATOM 11 C LIG 1 -7.668 -1.998 0.608 0.00 0.00 +0.123 A ATOM 12 C LIG 1 -6.740 -1.341 1.437 0.00 0.00 -0.002 A ATOM 13 C LIG 1 -6.331 -1.944 2.758 0.00 0.00 +0.048 C ATOM 14 C LIG 1 -6.230 -0.090 1.022 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.303 0.698 1.914 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.172 2.139 1.453 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -4.971 2.196 -0.064 0.00 0.00 +0.142 C ATOM 18 O LIG 1 -6.093 1.601 -0.739 0.00 0.00 -0.482 OA ATOM 19 C LIG 1 -4.961 3.675 -0.492 0.00 0.00 +0.059 C ATOM 20 C LIG 1 -6.571 0.409 -0.249 0.00 0.00 +0.128 A ATOM 21 C LIG 1 -7.455 -0.287 -1.098 0.00 0.00 -0.002 A ATOM 22 C LIG 1 -7.807 0.281 -2.452 0.00 0.00 +0.048 C BRANCH 11 23 ATOM 23 O LIG 1 -8.249 -3.177 0.999 0.00 0.00 -0.506 OA ATOM 24 H LIG 1 -8.238 -3.228 1.967 0.00 0.00 +0.292 HD ENDBRANCH 11 23 ENDBRANCH 8 17 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 25 ATOM 25 C LIG 1 2.785 0.424 -0.996 0.00 0.00 +0.068 C BRANCH 25 26 ATOM 26 CA LIG 1 3.281 -0.620 0.020 0.00 0.00 +0.184 C BRANCH 26 27 ATOM 27 C LIG 1 2.862 -2.052 -0.325 0.00 0.00 +0.326 C ATOM 28 O LIG 1 2.357 -2.451 -1.365 0.00 0.00 -0.249 OA BRANCH 27 29 ATOM 29 OXT LIG 1 3.122 -2.924 0.676 0.00 0.00 -0.479 OA ATOM 30 HXT LIG 1 2.867 -3.797 0.314 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 N LIG 1 4.737 -0.494 0.273 0.00 0.00 -0.331 N ATOM 32 H LIG 1 4.946 -0.779 1.243 0.00 0.00 +0.147 HD BRANCH 31 33 ATOM 33 C LIG 1 5.746 -0.998 -0.559 0.00 0.00 +0.039 A ATOM 34 C LIG 1 7.068 -1.124 -0.063 0.00 0.00 +0.043 A ATOM 35 C LIG 1 8.119 -1.585 -0.874 0.00 0.00 +0.013 A ATOM 36 C LIG 1 7.886 -1.876 -2.213 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.610 -1.706 -2.736 0.00 0.00 +0.002 A ATOM 38 C LIG 1 5.559 -1.264 -1.921 0.00 0.00 +0.023 A BRANCH 34 39 ATOM 39 C LIG 1 7.359 -0.813 1.363 0.00 0.00 +0.195 C ATOM 40 O LIG 1 6.608 -1.246 2.235 0.00 0.00 -0.287 OA BRANCH 39 41 ATOM 41 C LIG 1 8.534 0.013 1.745 0.00 0.00 +0.022 A ATOM 42 C LIG 1 9.118 -0.197 3.000 0.00 0.00 +0.012 A ATOM 43 C LIG 1 10.220 0.563 3.395 0.00 0.00 +0.001 A ATOM 44 C LIG 1 10.735 1.540 2.543 0.00 0.00 +0.000 A ATOM 45 C LIG 1 10.145 1.766 1.300 0.00 0.00 +0.001 A ATOM 46 C LIG 1 9.042 1.009 0.900 0.00 0.00 +0.012 A ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 31 33 ENDBRANCH 26 31 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 12