REMARK Name = BDB027159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.113 -2.166 -0.866 0.00 0.00 +0.158 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.604 -3.457 -1.497 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.513 -3.609 -2.891 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.027 -4.794 -3.447 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.376 -5.840 -2.620 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.295 -5.703 -1.237 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.191 -4.519 -0.678 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.166 -0.988 -1.211 0.00 0.00 +0.204 C ATOM 9 O LIG 1 -0.396 -0.242 -2.170 0.00 0.00 -0.288 OA BRANCH 8 17 ATOM 10 C LIG 1 3.023 -1.668 2.517 0.00 0.00 +0.086 C ATOM 11 C LIG 1 2.376 -1.137 1.290 0.00 0.00 +0.112 A ATOM 12 N LIG 1 2.910 -0.110 0.534 0.00 0.00 -0.302 N ATOM 13 C LIG 1 2.033 0.105 -0.518 0.00 0.00 +0.077 A ATOM 14 C LIG 1 2.365 1.125 -1.448 0.00 0.00 +0.029 A ATOM 15 C LIG 1 3.495 1.837 -1.276 0.00 0.00 +0.012 A ATOM 16 C LIG 1 4.418 1.608 -0.153 0.00 0.00 +0.002 A ATOM 17 C LIG 1 1.010 -0.809 -0.355 0.00 0.00 +0.134 A ATOM 18 C LIG 1 4.081 0.627 0.714 0.00 0.00 +0.101 A ATOM 19 N LIG 1 1.238 -1.567 0.779 0.00 0.00 -0.229 NA BRANCH 16 20 ATOM 20 C LIG 1 5.605 2.398 -0.007 0.00 0.00 +0.021 A ATOM 21 C LIG 1 6.773 2.030 0.628 0.00 0.00 +0.116 A ATOM 22 N LIG 1 7.623 3.093 0.511 0.00 0.00 -0.274 N ATOM 23 C LIG 1 8.973 3.186 1.009 0.00 0.00 +0.172 C ATOM 24 N LIG 1 7.089 4.135 -0.150 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 5.862 3.711 -0.465 0.00 0.00 +0.143 A ENDBRANCH 16 20 ENDBRANCH 8 17 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.502 -1.881 -1.333 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.424 -1.495 -2.277 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.169 -0.899 -0.471 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.578 -0.599 -1.001 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.289 0.421 -0.144 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -5.162 1.790 -0.417 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.801 2.737 0.389 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -6.578 2.322 1.477 0.00 0.00 +0.037 A ATOM 34 C LIG 1 -6.690 0.957 1.764 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -6.052 0.013 0.957 0.00 0.00 +0.004 A BRANCH 33 36 ATOM 36 C LIG 1 -7.276 3.290 2.365 0.00 0.00 +0.242 C ATOM 37 O LIG 1 -7.614 2.994 3.503 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -7.567 4.523 1.848 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -7.579 4.692 0.852 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -8.161 5.107 2.423 0.00 0.00 +0.145 HD ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9