REMARK Name = BDB011802 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.131 1.368 -0.999 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.328 1.266 -0.608 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -1.940 2.302 -0.309 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.933 0.008 -0.584 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.382 -1.186 -1.207 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.010 -1.589 -1.231 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.282 -2.870 -1.769 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.676 -3.694 -2.355 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -1.981 -3.264 -2.418 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.114 -0.848 -0.684 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.444 -1.106 -1.101 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.774 -1.652 -2.151 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.318 -2.036 -1.853 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.861 0.435 -0.045 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.546 -0.702 -0.188 0.00 0.00 +0.038 A ATOM 16 C LIG 1 3.491 -1.046 1.173 0.00 0.00 +0.023 A ATOM 17 C LIG 1 4.546 -0.647 2.015 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.617 0.061 1.468 0.00 0.00 +0.046 A ATOM 19 N LIG 1 6.497 0.320 2.494 0.00 0.00 -0.361 N ATOM 20 H LIG 1 7.372 0.815 2.387 0.00 0.00 +0.165 HD ATOM 21 C LIG 1 6.020 -0.197 3.669 0.00 0.00 +0.083 A ATOM 22 C LIG 1 5.694 0.392 0.109 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.814 -0.805 3.403 0.00 0.00 +0.027 A ATOM 24 C LIG 1 4.638 -0.009 -0.714 0.00 0.00 +0.015 A ENDBRANCH 11 15 BRANCH 1 26 ATOM 25 C LIG 1 1.758 3.216 -1.301 0.00 0.00 +0.230 C ATOM 26 N LIG 1 0.545 2.766 -0.840 0.00 0.00 -0.301 N ATOM 27 H LIG 1 -0.180 3.425 -0.567 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 2.585 2.467 -1.818 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 1.993 4.729 -1.112 0.00 0.00 +0.137 C ATOM 30 C LIG 1 1.331 5.481 -2.263 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 4.069 4.618 0.148 0.00 0.00 +0.101 C ATOM 32 N LIG 1 3.440 5.037 -1.100 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 3.867 4.506 -1.866 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 1 26 BRANCH 4 34 ATOM 34 C LIG 1 -3.348 0.028 -0.131 0.00 0.00 +0.149 C BRANCH 34 35 ATOM 35 C LIG 1 -3.849 -1.156 0.700 0.00 0.00 -0.019 A ATOM 36 C LIG 1 -5.071 -1.834 0.344 0.00 0.00 -0.013 A ATOM 37 C LIG 1 -5.473 -2.964 1.104 0.00 0.00 -0.018 A ATOM 38 C LIG 1 -6.640 -3.676 0.778 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -7.447 -3.287 -0.286 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -7.097 -2.175 -1.033 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -4.711 -3.383 2.196 0.00 0.00 +0.009 A ATOM 42 C LIG 1 -3.572 -2.686 2.577 0.00 0.00 +0.004 A ATOM 43 C LIG 1 -5.934 -1.462 -0.721 0.00 0.00 +0.009 A ATOM 44 C LIG 1 -3.145 -1.559 1.865 0.00 0.00 -0.045 A ATOM 45 C LIG 1 -1.916 -0.859 2.378 0.00 0.00 +0.044 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 6