REMARK Name = BDB047325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -4.033 1.229 -2.723 0.00 0.00 -0.267 OA ATOM 2 C LIG 1 -3.448 0.789 -1.738 0.00 0.00 +0.257 A ATOM 3 C LIG 1 -4.112 -0.142 -0.790 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.408 -0.627 0.331 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -4.099 -1.505 1.187 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -5.426 -1.879 0.938 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -6.097 -1.385 -0.176 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.008 -0.201 0.548 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -1.416 0.682 -0.372 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.098 1.125 -0.225 0.00 0.00 +0.031 A ATOM 11 C LIG 1 0.680 0.690 0.855 0.00 0.00 -0.031 A ATOM 12 C LIG 1 0.107 -0.187 1.780 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -1.215 -0.625 1.628 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -5.442 -0.515 -1.041 0.00 0.00 +0.014 A ATOM 15 N LIG 1 -2.150 1.141 -1.472 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -1.724 1.774 -2.137 0.00 0.00 +0.169 HD ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 2.106 1.173 1.019 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 2.963 0.850 -0.132 0.00 0.00 -0.294 NA ATOM 19 C LIG 1 4.283 1.509 -0.031 0.00 0.00 +0.113 C ATOM 20 C LIG 1 5.392 0.585 0.495 0.00 0.00 +0.175 C ATOM 21 O LIG 1 5.594 -0.576 -0.321 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 4.419 -0.968 -1.044 0.00 0.00 +0.175 C ATOM 23 C LIG 1 3.124 -0.614 -0.298 0.00 0.00 +0.113 C ENDBRANCH 17 18 ENDBRANCH 11 17 TORSDOF 2