REMARK Name = BDB011836 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.095 -0.869 0.833 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -2.444 -0.296 0.462 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -3.336 -1.073 0.088 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -2.646 1.077 0.553 0.00 0.00 -0.262 N ATOM 5 C LIG 1 -1.749 2.060 1.146 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.326 1.994 1.243 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.349 3.111 1.804 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.308 4.227 2.315 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -1.682 4.269 2.278 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.522 0.940 0.725 0.00 0.00 -0.263 N ATOM 11 C LIG 1 1.808 0.707 1.267 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.179 1.048 2.388 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.380 3.206 1.704 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.094 -0.131 -0.042 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 2.815 0.029 0.409 0.00 0.00 +0.037 A ATOM 16 C LIG 1 3.000 0.422 -0.921 0.00 0.00 +0.014 A ATOM 17 C LIG 1 3.972 -0.209 -1.702 0.00 0.00 +0.016 A ATOM 18 C LIG 1 4.771 -1.226 -1.157 0.00 0.00 +0.059 A ATOM 19 C LIG 1 4.593 -1.600 0.182 0.00 0.00 +0.016 A ATOM 20 C LIG 1 3.623 -0.968 0.966 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 5.789 -1.865 -2.036 0.00 0.00 +0.339 C ATOM 22 O LIG 1 5.985 -1.529 -3.194 0.00 0.00 -0.245 OA BRANCH 21 23 ATOM 23 O LIG 1 6.443 -2.851 -1.373 0.00 0.00 -0.464 OA ATOM 24 C LIG 1 7.433 -3.523 -2.155 0.00 0.00 +0.280 C ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 26 ATOM 25 C LIG 1 -0.141 -3.156 1.014 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -1.127 -2.312 0.567 0.00 0.00 -0.301 N ATOM 27 H LIG 1 -1.999 -2.674 0.191 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 0.880 -2.724 1.548 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -0.366 -4.663 0.716 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -1.744 -5.160 1.151 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 0.674 -5.666 2.720 0.00 0.00 +0.101 C ATOM 32 N LIG 1 0.747 -5.472 1.275 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 1.611 -4.957 1.078 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 1 26 BRANCH 4 34 ATOM 34 C LIG 1 -3.882 1.556 -0.107 0.00 0.00 +0.173 C BRANCH 34 35 ATOM 35 C LIG 1 -3.555 2.417 -1.290 0.00 0.00 +0.109 A ATOM 36 C LIG 1 -3.958 3.756 -1.538 0.00 0.00 +0.046 A ATOM 37 C LIG 1 -3.370 4.056 -2.755 0.00 0.00 +0.168 A ATOM 38 C LIG 1 -3.487 5.282 -3.403 0.00 0.00 +0.049 A ATOM 39 C LIG 1 -4.256 6.254 -2.754 0.00 0.00 +0.004 A ATOM 40 C LIG 1 -4.867 5.991 -1.524 0.00 0.00 +0.001 A ATOM 41 O LIG 1 -2.679 2.975 -3.202 0.00 0.00 -0.354 OA ATOM 42 C LIG 1 -4.730 4.742 -0.899 0.00 0.00 +0.013 A ATOM 43 N LIG 1 -2.799 1.938 -2.292 0.00 0.00 -0.080 NA ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 8