REMARK Name = BDB017080 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.707 1.829 -0.773 0.00 0.00 -0.332 N ATOM 2 C LIG 1 0.380 1.006 -0.641 0.00 0.00 +0.117 A ATOM 3 C LIG 1 0.996 1.401 0.531 0.00 0.00 +0.107 A ATOM 4 N LIG 1 0.312 2.468 1.082 0.00 0.00 -0.234 NA ATOM 5 C LIG 1 -0.688 2.712 0.267 0.00 0.00 +0.200 A ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 2.180 0.792 1.131 0.00 0.00 +0.091 A ATOM 7 N LIG 1 2.326 0.957 2.469 0.00 0.00 -0.253 NA ATOM 8 C LIG 1 3.407 0.408 3.057 0.00 0.00 +0.112 A ATOM 9 C LIG 1 4.367 -0.315 2.374 0.00 0.00 +0.031 A ATOM 10 C LIG 1 4.213 -0.486 0.998 0.00 0.00 +0.026 A ATOM 11 C LIG 1 3.099 0.080 0.368 0.00 0.00 +0.041 A BRANCH 10 12 ATOM 12 C LIG 1 5.198 -1.237 0.234 0.00 0.00 +0.204 A ATOM 13 N LIG 1 5.132 -1.462 -1.091 0.00 0.00 -0.133 NA ATOM 14 N LIG 1 6.255 -2.177 -1.265 0.00 0.00 -0.176 N ATOM 15 H LIG 1 6.540 -2.527 -2.175 0.00 0.00 +0.214 HD ATOM 16 N LIG 1 6.982 -2.405 -0.168 0.00 0.00 -0.049 NA ATOM 17 N LIG 1 6.314 -1.805 0.806 0.00 0.00 -0.108 NA ENDBRANCH 10 12 ENDBRANCH 3 6 BRANCH 1 18 ATOM 18 C LIG 1 -1.707 1.793 -1.827 0.00 0.00 +0.161 C BRANCH 18 20 ATOM 19 C LIG 1 -3.279 0.036 -0.873 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -2.417 0.463 -1.895 0.00 0.00 +0.014 A ATOM 21 C LIG 1 -2.216 -0.379 -3.001 0.00 0.00 +0.009 A ATOM 22 C LIG 1 -2.872 -1.607 -3.090 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -3.747 -2.005 -2.082 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -3.958 -1.181 -0.978 0.00 0.00 +0.046 A BRANCH 19 25 ATOM 25 O LIG 1 -3.500 0.874 0.187 0.00 0.00 -0.483 OA BRANCH 25 26 ATOM 26 C LIG 1 -3.137 0.292 1.457 0.00 0.00 +0.342 C BRANCH 26 28 ATOM 27 F LIG 1 -4.858 1.460 2.616 0.00 0.00 -0.167 F ATOM 28 C LIG 1 -4.322 0.237 2.406 0.00 0.00 +0.424 C ATOM 29 F LIG 1 -5.302 -0.569 1.936 0.00 0.00 -0.167 F ATOM 30 F LIG 1 -3.948 -0.254 3.611 0.00 0.00 -0.167 F ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 7