REMARK Name = BDB009285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.581 -1.250 -2.827 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.044 -1.432 -1.736 0.00 0.00 +0.247 C ATOM 3 N LIG 1 -1.188 -0.866 -1.378 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -1.435 -0.406 -0.008 0.00 0.00 +0.110 C ATOM 5 C LIG 1 -2.923 -0.280 0.295 0.00 0.00 +0.044 C ATOM 6 C LIG 1 -3.616 0.592 -0.760 0.00 0.00 +0.095 C ATOM 7 C LIG 1 -3.366 0.017 -2.158 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -1.872 -0.112 -2.426 0.00 0.00 +0.110 C ENDROOT BRANCH 6 9 ATOM 9 N LIG 1 -5.035 0.751 -0.488 0.00 0.00 -0.289 N ATOM 10 C LIG 1 -5.706 1.978 -0.332 0.00 0.00 +0.070 A ATOM 11 C LIG 1 -7.058 1.696 -0.129 0.00 0.00 +0.067 A ATOM 12 C LIG 1 -8.005 2.676 0.061 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -7.554 3.999 0.043 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -6.190 4.297 -0.162 0.00 0.00 +0.002 A ATOM 15 N LIG 1 -7.228 0.318 -0.165 0.00 0.00 -0.306 N ATOM 16 H LIG 1 -8.088 -0.192 -0.059 0.00 0.00 +0.170 HD ATOM 17 C LIG 1 -5.248 3.278 -0.354 0.00 0.00 +0.028 A ATOM 18 C LIG 1 -5.987 -0.291 -0.397 0.00 0.00 +0.328 A ATOM 19 O LIG 1 -5.800 -1.492 -0.497 0.00 0.00 -0.247 OA ENDBRANCH 6 9 BRANCH 2 20 ATOM 20 C LIG 1 0.736 -2.313 -0.763 0.00 0.00 +0.037 A ATOM 21 C LIG 1 2.115 -2.157 -0.580 0.00 0.00 +0.017 A ATOM 22 C LIG 1 2.807 -2.981 0.320 0.00 0.00 -0.041 A ATOM 23 C LIG 1 2.094 -3.964 1.024 0.00 0.00 +0.004 A ATOM 24 C LIG 1 0.724 -4.140 0.815 0.00 0.00 +0.001 A ATOM 25 C LIG 1 0.044 -3.322 -0.086 0.00 0.00 +0.013 A BRANCH 22 26 ATOM 26 C LIG 1 4.289 -2.796 0.552 0.00 0.00 +0.092 C BRANCH 26 27 ATOM 27 C LIG 1 4.577 -1.669 1.542 0.00 0.00 +0.069 A ATOM 28 C LIG 1 5.123 -0.364 1.048 0.00 0.00 -0.016 A ATOM 29 C LIG 1 5.571 -0.198 -0.378 0.00 0.00 +0.037 C ATOM 30 C LIG 1 6.379 1.081 -0.620 0.00 0.00 +0.005 C ATOM 31 C LIG 1 5.758 2.271 0.100 0.00 0.00 +0.005 C ATOM 32 C LIG 1 5.686 2.017 1.607 0.00 0.00 +0.041 C ATOM 33 C LIG 1 5.212 0.631 1.948 0.00 0.00 +0.023 A ATOM 34 C LIG 1 4.854 0.387 3.368 0.00 0.00 +0.268 A ATOM 35 O LIG 1 4.917 1.274 4.213 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 4.477 -0.892 3.677 0.00 0.00 -0.243 N ATOM 37 H LIG 1 4.223 -1.079 4.641 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 4.301 -1.907 2.791 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 22 26 ENDBRANCH 2 20 TORSDOF 4