REMARK Name = BDB017391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.067 -0.935 0.601 0.00 0.00 +0.159 C ATOM 2 C LIG 1 0.785 -0.150 0.257 0.00 0.00 +0.238 C ATOM 3 O LIG 1 0.573 0.957 0.768 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.155 -0.756 -0.542 0.00 0.00 -0.270 N ATOM 5 C LIG 1 0.093 -1.821 -1.500 0.00 0.00 +0.167 C ATOM 6 C LIG 1 -1.252 -1.973 -2.231 0.00 0.00 +0.045 C ATOM 7 C LIG 1 -1.814 -0.560 -2.226 0.00 0.00 +0.035 C ATOM 8 N LIG 1 0.550 -3.100 -0.978 0.00 0.00 -0.283 N ATOM 9 C LIG 1 1.081 -3.983 -1.918 0.00 0.00 +0.214 C ATOM 10 O LIG 1 1.236 -3.664 -3.099 0.00 0.00 -0.276 OA ATOM 11 C LIG 1 1.442 -5.376 -1.466 0.00 0.00 +0.109 C ATOM 12 C LIG 1 0.241 -3.478 0.402 0.00 0.00 +0.109 C ATOM 13 C LIG 1 1.445 -3.327 1.333 0.00 0.00 +0.021 C ATOM 14 C LIG 1 -1.382 -0.027 -0.862 0.00 0.00 +0.164 C ATOM 15 C LIG 1 1.771 -1.895 1.759 0.00 0.00 +0.033 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 3.840 0.702 0.088 0.00 0.00 +0.234 C ATOM 17 N LIG 1 3.045 0.071 1.032 0.00 0.00 -0.302 N ATOM 18 H LIG 1 2.731 0.647 1.806 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 3.906 0.314 -1.075 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 4.614 1.930 0.632 0.00 0.00 +0.158 C ATOM 21 C LIG 1 3.648 3.090 0.887 0.00 0.00 +0.038 C BRANCH 20 24 ATOM 22 C LIG 1 7.246 0.728 0.941 0.00 0.00 +0.109 C ATOM 23 C LIG 1 7.006 1.723 -0.168 0.00 0.00 +0.213 C ATOM 24 N LIG 1 5.740 2.295 -0.258 0.00 0.00 -0.293 N ATOM 25 C LIG 1 5.453 3.123 -1.425 0.00 0.00 +0.133 C ATOM 26 O LIG 1 7.929 2.014 -0.930 0.00 0.00 -0.276 OA ENDBRANCH 20 24 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 14 27 ATOM 27 C LIG 1 -2.483 -0.254 0.202 0.00 0.00 +0.238 C ATOM 28 N LIG 1 -3.516 0.669 0.087 0.00 0.00 -0.283 N ATOM 29 H LIG 1 -3.368 1.406 -0.585 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 -2.427 -1.187 0.999 0.00 0.00 -0.273 OA BRANCH 28 31 ATOM 31 C LIG 1 -4.723 0.744 0.834 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -5.638 1.822 0.585 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -6.844 1.873 1.336 0.00 0.00 -0.016 A ATOM 34 C LIG 1 -7.773 2.906 1.130 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -7.542 3.906 0.190 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.375 3.884 -0.557 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -7.120 0.890 2.294 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -6.226 -0.147 2.525 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -5.440 2.862 -0.364 0.00 0.00 +0.010 A ATOM 40 C LIG 1 -5.039 -0.219 1.801 0.00 0.00 +0.024 A ENDBRANCH 28 31 ENDBRANCH 14 27 TORSDOF 5