REMARK Name = BDB032503 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.601 1.272 -1.018 0.00 0.00 -0.024 A ATOM 2 C LIG 1 -0.579 1.123 -0.284 0.00 0.00 +0.072 A ATOM 3 C LIG 1 -0.609 1.573 1.027 0.00 0.00 +0.215 A ATOM 4 N LIG 1 0.434 2.162 1.647 0.00 0.00 -0.221 NA ATOM 5 C LIG 1 1.567 2.287 0.926 0.00 0.00 +0.115 A ATOM 6 C LIG 1 1.699 1.866 -0.389 0.00 0.00 +0.025 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 0.696 0.764 -2.435 0.00 0.00 +0.137 C BRANCH 7 8 ATOM 8 N LIG 1 1.310 -0.560 -2.463 0.00 0.00 -0.340 N ATOM 9 H LIG 1 0.890 -1.169 -1.763 0.00 0.00 +0.146 HD BRANCH 8 14 ATOM 10 C LIG 1 6.913 -1.365 -2.647 0.00 0.00 +0.124 A ATOM 11 C LIG 1 5.518 -1.133 -2.628 0.00 0.00 +0.023 A ATOM 12 C LIG 1 4.703 -2.021 -1.891 0.00 0.00 +0.007 A ATOM 13 C LIG 1 3.303 -1.784 -1.863 0.00 0.00 +0.033 A ATOM 14 C LIG 1 2.700 -0.695 -2.513 0.00 0.00 +0.028 A ATOM 15 C LIG 1 3.521 0.135 -3.272 0.00 0.00 +0.023 A ATOM 16 C LIG 1 5.331 -3.097 -1.231 0.00 0.00 +0.067 A ATOM 17 CL LIG 1 4.465 -4.264 -0.296 0.00 0.00 -0.081 Cl ATOM 18 C LIG 1 6.708 -3.234 -1.329 0.00 0.00 +0.133 A ATOM 19 C LIG 1 4.903 -0.071 -3.322 0.00 0.00 +0.014 A ATOM 20 N LIG 1 7.509 -2.394 -2.019 0.00 0.00 -0.239 NA BRANCH 10 21 ATOM 21 N LIG 1 7.791 -0.532 -3.344 0.00 0.00 -0.343 N ATOM 22 H LIG 1 7.707 0.428 -3.032 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 8.726 -0.896 -3.174 0.00 0.00 +0.144 HD ENDBRANCH 10 21 ENDBRANCH 8 14 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 24 ATOM 24 O LIG 1 -1.805 1.421 1.694 0.00 0.00 -0.476 OA BRANCH 24 25 ATOM 25 C LIG 1 -1.700 1.620 3.101 0.00 0.00 +0.234 C BRANCH 25 26 ATOM 26 C LIG 1 -3.032 1.282 3.800 0.00 0.00 +0.035 C ATOM 27 C LIG 1 -3.491 -0.161 3.518 0.00 0.00 +0.081 C ATOM 28 C LIG 1 -4.287 -0.300 2.264 0.00 0.00 +0.110 A ATOM 29 N LIG 1 -4.853 0.777 1.632 0.00 0.00 -0.334 N ATOM 30 C LIG 1 -5.538 0.327 0.542 0.00 0.00 +0.113 A ATOM 31 CA LIG 1 -5.364 -1.041 0.554 0.00 0.00 +0.085 A ATOM 32 C LIG 1 -4.690 2.155 2.042 0.00 0.00 +0.123 C ATOM 33 N LIG 1 -4.583 -1.417 1.632 0.00 0.00 -0.235 NA ATOM 34 C LIG 1 -4.157 2.281 3.469 0.00 0.00 +0.029 C BRANCH 31 35 ATOM 35 C LIG 1 -5.886 -2.075 -0.384 0.00 0.00 +0.212 C BRANCH 35 36 ATOM 36 O LIG 1 -5.416 -3.379 -0.041 0.00 0.00 -0.389 OA ATOM 37 H LIG 1 -4.911 -3.240 0.787 0.00 0.00 +0.210 HD ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 9