REMARK Name = BDB060510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.456 0.319 -0.524 0.00 0.00 +0.097 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 5.213 0.098 0.949 0.00 0.00 +0.044 C ATOM 3 C LIG 1 3.757 0.136 0.589 0.00 0.00 -0.050 A ATOM 4 C LIG 1 2.815 0.628 1.497 0.00 0.00 +0.003 A ATOM 5 C LIG 1 1.461 0.690 1.154 0.00 0.00 +0.005 A ATOM 6 C LIG 1 1.021 0.280 -0.114 0.00 0.00 -0.034 A ATOM 7 C LIG 1 1.975 -0.212 -1.021 0.00 0.00 +0.005 A ATOM 8 C LIG 1 3.328 -0.275 -0.677 0.00 0.00 +0.003 A ENDBRANCH 1 6 BRANCH 1 9 ATOM 9 C LIG 1 -1.252 1.483 0.087 0.00 0.00 +0.053 A ATOM 10 N LIG 1 -1.917 1.288 1.257 0.00 0.00 -0.259 NA ATOM 11 C LIG 1 -2.590 2.334 1.784 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -2.626 3.592 1.212 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -1.929 3.793 0.028 0.00 0.00 +0.003 A ATOM 14 C LIG 1 -1.231 2.732 -0.542 0.00 0.00 +0.024 A ENDBRANCH 1 9 BRANCH 1 15 ATOM 15 C LIG 1 -1.150 -1.042 -0.403 0.00 0.00 -0.034 A ATOM 16 C LIG 1 -1.845 -1.578 -1.504 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -2.482 -2.818 -1.414 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -2.433 -3.529 -0.220 0.00 0.00 +0.117 A ATOM 19 C LIG 1 -1.762 -3.018 0.882 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -1.126 -1.779 0.793 0.00 0.00 +0.008 A BRANCH 18 21 ATOM 21 O LIG 1 -3.042 -4.742 -0.090 0.00 0.00 -0.507 OA ATOM 22 H LIG 1 -3.483 -4.956 -0.928 0.00 0.00 +0.292 HD ENDBRANCH 18 21 ENDBRANCH 1 15 TORSDOF 4