REMARK Name = BDB021375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.209 3.796 -0.378 0.00 0.00 +0.159 A ATOM 2 N LIG 1 -0.167 2.912 -0.495 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.477 1.901 0.297 0.00 0.00 +0.151 A ATOM 4 N LIG 1 -1.708 2.093 0.896 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -2.276 1.157 1.779 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.603 0.090 2.121 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 -0.370 -0.105 1.536 0.00 0.00 +0.126 A ATOM 8 C LIG 1 0.224 0.703 0.631 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -2.161 3.328 0.497 0.00 0.00 +0.134 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 1.554 0.327 0.095 0.00 0.00 -0.013 A ATOM 11 C LIG 1 2.591 1.268 0.049 0.00 0.00 +0.009 A ATOM 12 C LIG 1 3.850 0.929 -0.461 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.114 -0.364 -0.934 0.00 0.00 -0.030 A ATOM 14 C LIG 1 3.062 -1.294 -0.917 0.00 0.00 +0.006 A ATOM 15 C LIG 1 1.802 -0.957 -0.409 0.00 0.00 +0.009 A BRANCH 13 16 ATOM 16 C LIG 1 5.452 -0.754 -1.529 0.00 0.00 +0.084 C ATOM 17 N LIG 1 5.902 -2.092 -1.090 0.00 0.00 -0.309 NA ATOM 18 H LIG 1 5.856 -2.109 -0.070 0.00 0.00 +0.123 HD ATOM 19 C LIG 1 7.307 -2.179 -1.496 0.00 0.00 +0.081 C ATOM 20 C LIG 1 7.854 -0.762 -1.447 0.00 0.00 +0.017 C ATOM 21 C LIG 1 6.649 0.115 -1.146 0.00 0.00 +0.025 C ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 23 ATOM 22 N LIG 1 -1.263 6.063 -1.635 0.00 0.00 -0.189 NA ATOM 23 C LIG 1 -1.222 5.041 -1.083 0.00 0.00 +0.121 C ENDBRANCH 1 23 BRANCH 5 24 ATOM 24 N LIG 1 -3.530 1.334 2.325 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.655 0.603 3.021 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.729 1.411 1.493 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -4.801 0.308 0.476 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -4.989 -1.029 0.815 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.100 -1.679 2.143 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -5.585 -3.062 1.706 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -5.198 -3.282 0.332 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -5.021 -2.016 -0.163 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -4.865 -1.734 -1.505 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -4.684 -0.401 -1.871 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -4.657 0.598 -0.889 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -4.475 1.868 -1.279 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 5 24 TORSDOF 6