REMARK Name = BDB026984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.543 1.317 0.018 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.468 2.746 0.539 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.594 3.034 1.908 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.529 4.352 2.366 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.345 5.396 1.463 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.227 5.127 0.102 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.290 3.811 -0.359 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.531 0.402 0.770 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.884 -0.245 1.763 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.364 -1.635 1.284 0.00 0.00 +0.076 A ATOM 11 N LIG 1 4.288 -0.731 0.274 0.00 0.00 -0.229 NA ATOM 12 C LIG 1 3.066 -0.197 0.115 0.00 0.00 +0.139 A ATOM 13 C LIG 1 1.917 -0.463 0.849 0.00 0.00 +0.029 A ATOM 14 C LIG 1 0.863 0.348 0.306 0.00 0.00 +0.046 A ATOM 15 C LIG 1 1.428 1.072 -0.736 0.00 0.00 +0.096 A ATOM 16 C LIG 1 2.036 -1.402 1.886 0.00 0.00 +0.014 A ATOM 17 N LIG 1 2.753 0.730 -0.836 0.00 0.00 -0.345 N ATOM 18 H LIG 1 3.422 1.093 -1.499 0.00 0.00 +0.167 HD ATOM 19 C LIG 1 3.287 -1.990 2.096 0.00 0.00 +0.029 A BRANCH 10 24 ATOM 20 C LIG 1 9.175 -2.763 0.778 0.00 0.00 +0.172 C ATOM 21 N LIG 1 7.809 -2.716 1.239 0.00 0.00 -0.274 N ATOM 22 N LIG 1 7.429 -3.494 2.269 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.133 -3.202 2.416 0.00 0.00 +0.144 A ATOM 24 C LIG 1 5.675 -2.238 1.488 0.00 0.00 +0.038 A ATOM 25 C LIG 1 6.800 -1.949 0.739 0.00 0.00 +0.118 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.897 0.724 0.139 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.122 0.625 1.130 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.940 1.465 -0.569 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.267 0.686 -0.594 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.264 -0.477 -1.560 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -5.771 -0.323 -2.858 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.757 -1.395 -3.755 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.233 -2.631 -3.364 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -4.723 -2.790 -2.073 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.738 -1.718 -1.177 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -5.216 -3.728 -4.286 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -5.204 -4.613 -5.037 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9