REMARK Name = BDB060718 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.763 0.486 -1.263 0.00 0.00 +0.140 A ATOM 2 C LIG 1 -0.324 0.614 -2.592 0.00 0.00 +0.076 A ATOM 3 C LIG 1 0.868 1.321 -2.766 0.00 0.00 +0.081 A ATOM 4 C LIG 1 1.374 1.483 -4.052 0.00 0.00 +0.029 A ATOM 5 C LIG 1 0.726 0.966 -5.177 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.463 0.271 -5.017 0.00 0.00 +0.039 A ATOM 7 N LIG 1 1.548 1.850 -1.749 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 1.056 1.685 -0.519 0.00 0.00 +0.218 A ATOM 9 C LIG 1 -0.978 0.102 -3.736 0.00 0.00 +0.136 A ATOM 10 F LIG 1 -2.147 -0.548 -3.611 0.00 0.00 -0.205 F ATOM 11 N LIG 1 -0.071 1.033 -0.248 0.00 0.00 -0.199 NA ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 -1.926 -0.276 -0.987 0.00 0.00 -0.282 N ATOM 13 H LIG 1 -2.595 -0.201 -1.743 0.00 0.00 +0.155 HD BRANCH 12 18 ATOM 14 C LIG 1 -3.807 -1.629 1.662 0.00 0.00 +0.038 A ATOM 15 N LIG 1 -2.560 -1.448 2.190 0.00 0.00 -0.280 N ATOM 16 H LIG 1 -2.242 -1.645 3.132 0.00 0.00 +0.189 HD ATOM 17 N LIG 1 -1.673 -0.954 1.320 0.00 0.00 -0.158 NA ATOM 18 C LIG 1 -2.366 -0.761 0.196 0.00 0.00 +0.146 A ATOM 19 C LIG 1 -3.708 -1.195 0.358 0.00 0.00 +0.068 A BRANCH 14 21 ATOM 20 C LIG 1 -5.704 -1.093 3.180 0.00 0.00 +0.010 C ATOM 21 C LIG 1 -4.941 -2.184 2.445 0.00 0.00 +0.051 C ENDBRANCH 14 21 ENDBRANCH 12 18 ENDBRANCH 1 12 BRANCH 8 22 ATOM 22 N LIG 1 1.723 2.215 0.582 0.00 0.00 -0.304 N ATOM 23 H LIG 1 1.288 1.727 1.367 0.00 0.00 +0.150 HD BRANCH 22 24 ATOM 24 C LIG 1 3.173 1.975 0.547 0.00 0.00 +0.138 C ATOM 25 C LIG 1 3.825 2.839 1.629 0.00 0.00 +0.036 C BRANCH 24 26 ATOM 26 C LIG 1 3.520 0.505 0.803 0.00 0.00 +0.149 A ATOM 27 N LIG 1 4.445 -0.082 0.008 0.00 0.00 -0.236 NA ATOM 28 C LIG 1 4.684 -1.392 0.235 0.00 0.00 +0.152 A ATOM 29 C LIG 1 4.053 -2.119 1.213 0.00 0.00 +0.159 A ATOM 30 F LIG 1 4.313 -3.416 1.408 0.00 0.00 -0.202 F ATOM 31 C LIG 1 3.147 -1.436 1.983 0.00 0.00 +0.152 A ATOM 32 N LIG 1 2.871 -0.125 1.814 0.00 0.00 -0.236 NA ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 6