REMARK Name = BDB029476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -6.305 0.282 1.321 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -5.143 0.326 0.928 0.00 0.00 +0.219 C ATOM 3 N LIG 1 -4.410 1.480 1.026 0.00 0.00 -0.256 N ATOM 4 H LIG 1 -4.880 2.203 1.557 0.00 0.00 +0.157 HD ATOM 5 C LIG 1 -3.040 1.524 1.121 0.00 0.00 +0.227 C ATOM 6 O LIG 1 -2.495 2.395 1.792 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 -2.298 0.453 0.344 0.00 0.00 +0.065 C ATOM 8 C LIG 1 -0.805 0.418 0.707 0.00 0.00 +0.122 C ATOM 9 N LIG 1 -0.197 -0.185 -0.481 0.00 0.00 -0.314 N ATOM 10 C LIG 1 -0.993 0.077 -1.672 0.00 0.00 +0.107 C ATOM 11 C LIG 1 -2.231 0.812 -1.150 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -2.975 -0.899 0.620 0.00 0.00 +0.027 C ATOM 13 C LIG 1 -4.462 -0.861 0.292 0.00 0.00 +0.097 C ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 1.178 -0.306 -0.525 0.00 0.00 +0.122 A ATOM 15 N LIG 1 1.882 0.015 0.583 0.00 0.00 -0.232 NA ATOM 16 C LIG 1 3.222 -0.104 0.589 0.00 0.00 +0.073 A ATOM 17 C LIG 1 3.943 -0.570 -0.524 0.00 0.00 +0.001 A ATOM 18 C LIG 1 5.345 -0.679 -0.473 0.00 0.00 +0.010 A ATOM 19 C LIG 1 6.034 -0.324 0.684 0.00 0.00 +0.001 A ATOM 20 C LIG 1 5.328 0.138 1.789 0.00 0.00 +0.002 A ATOM 21 C LIG 1 3.215 -0.918 -1.662 0.00 0.00 +0.013 A ATOM 22 C LIG 1 3.934 0.243 1.730 0.00 0.00 +0.028 A ATOM 23 C LIG 1 1.828 -0.789 -1.657 0.00 0.00 +0.044 A ENDBRANCH 9 14 TORSDOF 1