REMARK Name = BDB041039 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.964 -0.932 -0.055 0.00 0.00 +0.083 C ATOM 2 C LIG 1 -0.593 -1.587 0.255 0.00 0.00 +0.171 C ATOM 3 C LIG 1 -0.651 -3.132 0.096 0.00 0.00 +0.240 C ATOM 4 O LIG 1 0.256 -3.790 -0.418 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -1.748 -3.773 0.633 0.00 0.00 -0.269 N ATOM 6 H LIG 1 -1.739 -4.785 0.647 0.00 0.00 +0.156 HD ATOM 7 C LIG 1 -2.885 -3.047 0.890 0.00 0.00 +0.127 A ATOM 8 N LIG 1 -4.061 -3.503 1.407 0.00 0.00 -0.253 N ATOM 9 C LIG 1 -4.375 -4.829 1.878 0.00 0.00 +0.174 C ATOM 10 N LIG 1 -5.013 -2.553 1.439 0.00 0.00 -0.175 NA ATOM 11 C LIG 1 -4.420 -1.459 0.934 0.00 0.00 +0.066 A ATOM 12 C LIG 1 -5.211 -0.212 0.778 0.00 0.00 +0.068 C ATOM 13 C LIG 1 -3.063 -1.714 0.596 0.00 0.00 +0.025 A ENDROOT BRANCH 1 17 ATOM 14 C LIG 1 -2.223 3.216 1.220 0.00 0.00 -0.048 A ATOM 15 C LIG 1 -1.916 2.216 2.148 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -1.836 0.878 1.752 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -2.059 0.508 0.416 0.00 0.00 -0.038 A ATOM 18 C LIG 1 -2.354 1.521 -0.512 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -2.435 2.858 -0.115 0.00 0.00 +0.004 A BRANCH 14 21 ATOM 20 C LIG 1 -0.933 5.345 1.531 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -2.287 4.661 1.646 0.00 0.00 +0.032 C ENDBRANCH 14 21 ENDBRANCH 1 17 BRANCH 2 22 ATOM 22 N LIG 1 0.480 -1.062 -0.600 0.00 0.00 -0.299 N ATOM 23 H LIG 1 0.540 -1.466 -1.527 0.00 0.00 +0.150 HD ATOM 24 C LIG 1 1.665 -0.627 -0.043 0.00 0.00 +0.245 C ATOM 25 O LIG 1 1.849 -0.511 1.163 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 2.766 -0.323 -0.998 0.00 0.00 +0.040 A ATOM 27 C LIG 1 4.088 -0.456 -0.554 0.00 0.00 +0.062 A ATOM 28 C LIG 1 5.155 -0.178 -1.415 0.00 0.00 +0.162 A ATOM 29 C LIG 1 4.895 0.245 -2.735 0.00 0.00 +0.162 A ATOM 30 C LIG 1 3.571 0.392 -3.167 0.00 0.00 +0.050 A ATOM 31 C LIG 1 2.510 0.113 -2.301 0.00 0.00 +0.017 A BRANCH 28 32 ATOM 32 O LIG 1 6.479 -0.289 -1.068 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 6.780 -0.658 0.271 0.00 0.00 +0.277 C ENDBRANCH 28 32 BRANCH 29 34 ATOM 34 O LIG 1 5.996 0.495 -3.516 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 5.777 0.920 -4.853 0.00 0.00 +0.277 C ENDBRANCH 29 34 ENDBRANCH 24 26 ENDBRANCH 2 22 TORSDOF 6