REMARK Name = BDB060716 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.095 1.476 0.215 0.00 0.00 +0.140 A ATOM 2 C LIG 1 -0.974 2.763 -0.335 0.00 0.00 +0.076 A ATOM 3 C LIG 1 0.331 3.182 -0.604 0.00 0.00 +0.081 A ATOM 4 C LIG 1 0.533 4.442 -1.158 0.00 0.00 +0.029 A ATOM 5 C LIG 1 -0.527 5.304 -1.450 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.826 4.902 -1.179 0.00 0.00 +0.039 A ATOM 7 N LIG 1 1.399 2.423 -0.354 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 1.195 1.218 0.179 0.00 0.00 +0.218 A ATOM 9 C LIG 1 -2.040 3.645 -0.626 0.00 0.00 +0.136 A ATOM 10 F LIG 1 -3.305 3.290 -0.344 0.00 0.00 -0.205 F ATOM 11 N LIG 1 -0.006 0.728 0.471 0.00 0.00 -0.199 NA ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 -2.383 0.936 0.450 0.00 0.00 -0.282 N ATOM 13 H LIG 1 -3.051 1.666 0.670 0.00 0.00 +0.155 HD BRANCH 12 18 ATOM 14 C LIG 1 -4.064 -2.031 1.319 0.00 0.00 +0.038 A ATOM 15 N LIG 1 -2.833 -2.450 0.899 0.00 0.00 -0.280 N ATOM 16 H LIG 1 -2.477 -3.398 0.844 0.00 0.00 +0.189 HD ATOM 17 N LIG 1 -2.029 -1.455 0.511 0.00 0.00 -0.158 NA ATOM 18 C LIG 1 -2.741 -0.342 0.704 0.00 0.00 +0.146 A ATOM 19 C LIG 1 -4.034 -0.659 1.198 0.00 0.00 +0.068 A BRANCH 14 21 ATOM 20 C LIG 1 -5.979 -3.461 0.628 0.00 0.00 +0.010 C ATOM 21 C LIG 1 -5.120 -2.969 1.782 0.00 0.00 +0.051 C ENDBRANCH 14 21 ENDBRANCH 12 18 ENDBRANCH 1 12 BRANCH 8 22 ATOM 22 N LIG 1 2.258 0.371 0.475 0.00 0.00 -0.305 N ATOM 23 H LIG 1 1.786 -0.528 0.572 0.00 0.00 +0.150 HD BRANCH 22 24 ATOM 24 C LIG 1 3.322 0.361 -0.531 0.00 0.00 +0.119 C ATOM 25 C LIG 1 4.385 1.416 -0.211 0.00 0.00 +0.034 C BRANCH 24 26 ATOM 26 C LIG 1 3.984 -1.021 -0.575 0.00 0.00 +0.061 A ATOM 27 N LIG 1 4.117 -1.607 -1.796 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 4.702 -2.829 -1.839 0.00 0.00 +0.149 A ATOM 29 C LIG 1 5.167 -3.496 -0.722 0.00 0.00 +0.141 A ATOM 30 F LIG 1 5.737 -4.702 -0.833 0.00 0.00 -0.204 F ATOM 31 C LIG 1 5.035 -2.896 0.519 0.00 0.00 +0.042 A ATOM 32 C LIG 1 4.436 -1.640 0.597 0.00 0.00 +0.028 A ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 6