REMARK Name = BDB028034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.644 0.586 1.735 0.00 0.00 -0.333 N ATOM 2 H LIG 1 -0.270 1.084 2.542 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.325 0.383 0.771 0.00 0.00 +0.030 A ATOM 4 C LIG 1 1.660 0.270 1.210 0.00 0.00 +0.051 A ATOM 5 C LIG 1 2.734 0.010 0.363 0.00 0.00 +0.073 A ATOM 6 C LIG 1 2.466 -0.167 -1.005 0.00 0.00 +0.001 A ATOM 7 C LIG 1 3.543 -0.427 -1.864 0.00 0.00 +0.011 A ATOM 8 C LIG 1 4.831 -0.504 -1.350 0.00 0.00 +0.020 A ATOM 9 C LIG 1 4.996 -0.319 0.010 0.00 0.00 +0.111 A ATOM 10 C LIG 1 1.148 -0.085 -1.470 0.00 0.00 +0.012 A ATOM 11 N LIG 1 3.981 -0.067 0.865 0.00 0.00 -0.255 NA ATOM 12 C LIG 1 0.095 0.176 -0.584 0.00 0.00 +0.023 A ENDBRANCH 1 3 BRANCH 1 19 ATOM 13 O LIG 1 -4.131 -0.846 -1.622 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -3.574 -0.401 -0.623 0.00 0.00 +0.219 C ATOM 15 N LIG 1 -3.401 0.951 -0.461 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -3.721 1.524 -1.230 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -2.599 1.590 0.457 0.00 0.00 +0.239 C ATOM 18 O LIG 1 -2.311 2.777 0.307 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 -2.099 0.748 1.629 0.00 0.00 +0.158 C ATOM 20 C LIG 1 -2.830 -0.587 1.759 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -2.968 -1.300 0.428 0.00 0.00 +0.098 C ENDBRANCH 1 19 TORSDOF 2