REMARK Name = BDB024621 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.161 -0.080 -0.363 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.165 -0.049 0.628 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.606 -0.321 2.014 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.426 0.848 2.582 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.473 -0.629 3.006 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.387 -1.449 2.342 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.854 -0.638 1.197 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.475 -0.559 0.913 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.419 -1.145 1.567 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.667 -0.764 0.927 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.343 0.052 -0.135 0.00 0.00 -0.326 N ATOM 12 C LIG 1 1.026 0.200 -0.159 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.894 0.914 -0.987 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.263 0.822 -0.703 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.760 0.046 0.356 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.362 -0.160 -0.116 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 6.696 -0.182 -2.649 0.00 0.00 +0.282 C ATOM 18 O LIG 1 5.688 -0.086 -1.643 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.266 0.654 -1.083 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 -1.702 2.057 -0.638 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 -2.743 2.639 -1.506 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -2.217 3.010 -2.840 0.00 0.00 +0.112 C ATOM 23 C LIG 1 -3.287 3.708 -3.696 0.00 0.00 +0.175 C ATOM 24 O LIG 1 -3.788 4.880 -3.045 0.00 0.00 -0.377 OA ATOM 25 C LIG 1 -4.353 4.530 -1.775 0.00 0.00 +0.175 C ATOM 26 C LIG 1 -3.308 3.856 -0.874 0.00 0.00 +0.112 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 27 ATOM 27 C LIG 1 -2.058 -1.176 1.300 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.434 -2.522 0.663 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.941 -2.745 0.670 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.676 -2.765 1.866 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.058 -2.959 1.849 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.724 -3.136 0.638 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.007 -3.123 -0.556 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.625 -2.930 -0.542 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -1.694 -3.645 1.369 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -1.787 -3.966 2.543 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -0.870 -4.325 0.543 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -0.421 -4.960 1.140 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 9