REMARK Name = BDB024249 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.343 -0.071 -0.369 0.00 0.00 -0.269 N ATOM 2 H LIG 1 0.574 -0.557 -1.226 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 1.352 0.506 0.371 0.00 0.00 +0.240 C ATOM 4 O LIG 1 1.198 1.205 1.373 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 -3.826 -0.026 0.046 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -3.097 -0.638 -0.978 0.00 0.00 +0.136 A ATOM 7 N LIG 1 -1.743 -0.649 -1.105 0.00 0.00 -0.238 NA ATOM 8 C LIG 1 -1.032 -0.009 -0.159 0.00 0.00 +0.125 A ATOM 9 C LIG 1 -1.636 0.628 0.908 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -3.033 0.613 1.003 0.00 0.00 +0.028 A BRANCH 5 16 ATOM 11 C LIG 1 -10.259 -1.254 0.402 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -9.506 0.052 0.444 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -8.139 -0.005 0.236 0.00 0.00 -0.299 N ATOM 14 C LIG 1 -7.395 -1.230 -0.068 0.00 0.00 +0.126 C ATOM 15 C LIG 1 -6.013 -0.967 -0.697 0.00 0.00 +0.124 C ATOM 16 N LIG 1 -5.209 -0.055 0.132 0.00 0.00 -0.326 N ATOM 17 C LIG 1 -5.935 0.992 0.880 0.00 0.00 +0.124 C ATOM 18 C LIG 1 -7.352 1.226 0.326 0.00 0.00 +0.126 C ATOM 19 O LIG 1 -10.103 1.109 0.648 0.00 0.00 -0.276 OA ENDBRANCH 5 16 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 2.771 0.172 -0.181 0.00 0.00 +0.171 C BRANCH 20 21 ATOM 21 C LIG 1 3.042 0.897 -1.491 0.00 0.00 -0.022 A ATOM 22 C LIG 1 3.526 0.184 -2.600 0.00 0.00 +0.005 A ATOM 23 C LIG 1 3.780 0.835 -3.808 0.00 0.00 +0.000 A ATOM 24 C LIG 1 3.562 2.206 -3.922 0.00 0.00 +0.000 A ATOM 25 C LIG 1 3.096 2.929 -2.827 0.00 0.00 +0.000 A ATOM 26 C LIG 1 2.842 2.282 -1.617 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 3.814 0.523 0.810 0.00 0.00 -0.302 NA ATOM 28 H LIG 1 3.510 1.397 1.250 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 3.969 -0.486 1.866 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 4.813 -1.705 1.448 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 6.290 -1.411 1.315 0.00 0.00 -0.046 A ATOM 32 C LIG 1 6.787 -0.749 0.183 0.00 0.00 +0.005 A ATOM 33 C LIG 1 8.151 -0.473 0.062 0.00 0.00 +0.019 A ATOM 34 C LIG 1 9.036 -0.856 1.072 0.00 0.00 +0.052 A ATOM 35 C LIG 1 8.549 -1.515 2.206 0.00 0.00 +0.019 A ATOM 36 C LIG 1 7.184 -1.789 2.326 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 10.436 -0.574 0.949 0.00 0.00 +0.099 C ATOM 38 N LIG 1 11.571 -0.351 0.851 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 3 20 TORSDOF 9