REMARK Name = BDB065023 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.660 0.638 -0.458 0.00 0.00 +0.105 C ATOM 2 N LIG 1 4.927 0.540 0.808 0.00 0.00 -0.297 NA ATOM 3 C LIG 1 4.196 -0.758 0.874 0.00 0.00 +0.120 C ATOM 4 C LIG 1 2.779 -0.453 0.506 0.00 0.00 -0.028 A ATOM 5 C LIG 1 2.592 0.939 0.509 0.00 0.00 -0.029 A ATOM 6 C LIG 1 1.361 1.521 0.230 0.00 0.00 +0.011 A ATOM 7 C LIG 1 0.322 0.650 -0.057 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -1.092 0.952 -0.426 0.00 0.00 +0.144 C ATOM 9 N LIG 1 -1.709 -0.373 -0.476 0.00 0.00 -0.282 N ATOM 10 C LIG 1 -0.751 -1.378 -0.392 0.00 0.00 +0.248 C ATOM 11 O LIG 1 -0.894 -2.572 -0.569 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 0.524 -0.737 -0.055 0.00 0.00 +0.042 A ATOM 13 C LIG 1 1.743 -1.328 0.225 0.00 0.00 +0.018 A ATOM 14 C LIG 1 3.883 1.601 0.878 0.00 0.00 +0.120 C ENDROOT BRANCH 9 15 ATOM 15 C LIG 1 -3.050 -0.605 -1.025 0.00 0.00 +0.163 C ATOM 16 C LIG 1 -3.889 0.683 -1.083 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -3.685 1.573 -1.907 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 -4.790 0.882 -0.064 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -5.266 1.774 -0.065 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -4.924 0.145 1.085 0.00 0.00 +0.219 C ATOM 21 O LIG 1 -5.576 0.573 2.033 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -4.180 -1.166 1.142 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -3.847 -1.666 -0.256 0.00 0.00 +0.041 C ENDBRANCH 9 15 TORSDOF 1