REMARK Name = BDB045415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.607 0.641 -0.091 0.00 0.00 +0.053 C ATOM 2 C LIG 1 -2.545 1.204 -1.194 0.00 0.00 +0.140 C ATOM 3 C LIG 1 -2.245 2.687 -1.527 0.00 0.00 +0.113 C ATOM 4 N LIG 1 -2.104 3.555 -0.353 0.00 0.00 -0.313 NA ATOM 5 H LIG 1 -1.863 4.499 -0.652 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -1.091 3.052 0.567 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -1.465 1.658 1.061 0.00 0.00 +0.026 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 2.172 -0.883 -1.246 0.00 0.00 +0.318 A ATOM 9 N LIG 1 1.704 -1.196 -0.030 0.00 0.00 -0.203 NA ATOM 10 C LIG 1 0.495 -0.691 0.284 0.00 0.00 +0.121 A ATOM 11 C LIG 1 -0.261 0.118 -0.548 0.00 0.00 -0.005 A ATOM 12 C LIG 1 0.331 0.359 -1.771 0.00 0.00 +0.121 A ATOM 13 N LIG 1 1.535 -0.120 -2.140 0.00 0.00 -0.203 NA BRANCH 8 14 ATOM 14 O LIG 1 3.407 -1.332 -1.652 0.00 0.00 -0.462 OA BRANCH 14 15 ATOM 15 C LIG 1 4.121 -2.105 -0.687 0.00 0.00 +0.234 C BRANCH 15 16 ATOM 16 C LIG 1 4.887 -1.221 0.302 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 5.938 -0.350 -0.384 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 6.950 -1.152 -0.998 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 8.041 -1.464 -0.122 0.00 0.00 +0.198 C BRANCH 19 21 ATOM 20 C LIG 1 9.918 -0.216 1.049 0.00 0.00 +0.125 A ATOM 21 C LIG 1 9.081 -0.363 -0.074 0.00 0.00 +0.020 A ATOM 22 C LIG 1 9.271 0.479 -1.184 0.00 0.00 +0.009 A ATOM 23 C LIG 1 10.243 1.477 -1.165 0.00 0.00 +0.001 A ATOM 24 C LIG 1 11.046 1.638 -0.042 0.00 0.00 +0.004 A ATOM 25 C LIG 1 10.887 0.794 1.061 0.00 0.00 +0.046 A BRANCH 20 27 ATOM 26 C LIG 1 10.612 -1.063 3.170 0.00 0.00 +0.277 C ATOM 27 O LIG 1 9.705 -1.102 2.074 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 28 ATOM 28 O LIG 1 -3.912 1.134 -0.745 0.00 0.00 -0.370 OA BRANCH 28 29 ATOM 29 C LIG 1 -4.553 -0.104 -1.062 0.00 0.00 +0.199 C BRANCH 29 30 ATOM 30 C LIG 1 -5.897 -0.212 -0.381 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -6.566 -1.445 -0.324 0.00 0.00 +0.133 A ATOM 32 C LIG 1 -7.787 -1.602 0.375 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -8.395 -0.459 0.950 0.00 0.00 +0.027 A ATOM 34 C LIG 1 -9.627 -0.619 1.626 0.00 0.00 +0.012 A ATOM 35 C LIG 1 -10.239 -1.866 1.755 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -9.629 -2.990 1.213 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -7.754 0.801 0.840 0.00 0.00 +0.128 A ATOM 38 C LIG 1 -8.418 -2.858 0.533 0.00 0.00 +0.012 A ATOM 39 C LIG 1 -6.520 0.909 0.188 0.00 0.00 +0.055 A BRANCH 31 40 ATOM 40 O LIG 1 -5.964 -2.535 -0.920 0.00 0.00 -0.494 OA ATOM 41 C LIG 1 -6.486 -2.729 -2.240 0.00 0.00 +0.277 C ENDBRANCH 31 40 BRANCH 37 42 ATOM 42 O LIG 1 -8.410 1.867 1.418 0.00 0.00 -0.494 OA ATOM 43 C LIG 1 -7.786 3.143 1.342 0.00 0.00 +0.277 C ENDBRANCH 37 42 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 14