REMARK Name = BDB010495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.427 -1.055 -1.263 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.286 -0.879 -0.483 0.00 0.00 -0.318 N ATOM 3 C LIG 1 0.791 -1.421 -1.167 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.245 -1.872 -2.352 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.941 -2.436 -3.348 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 2.252 -2.496 -3.085 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.878 -2.081 -1.961 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 2.164 -1.545 -0.953 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.096 -1.666 -2.393 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -4.374 0.239 0.478 0.00 0.00 +0.216 A ATOM 11 N LIG 1 -3.095 -0.126 0.243 0.00 0.00 -0.210 NA ATOM 12 C LIG 1 -2.816 -0.632 -0.978 0.00 0.00 +0.110 A ATOM 13 C LIG 1 -3.792 -0.775 -1.968 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -5.112 -0.388 -1.712 0.00 0.00 -0.038 A ATOM 15 C LIG 1 -5.398 0.130 -0.451 0.00 0.00 +0.071 A BRANCH 14 16 ATOM 16 C LIG 1 -6.207 -0.522 -2.752 0.00 0.00 +0.013 C ATOM 17 C LIG 1 -6.437 -1.985 -3.139 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -5.915 0.330 -3.990 0.00 0.00 +0.012 C ENDBRANCH 14 16 BRANCH 10 19 ATOM 19 O LIG 1 -4.745 0.745 1.709 0.00 0.00 -0.477 OA BRANCH 19 21 ATOM 20 C LIG 1 -3.471 -0.416 3.422 0.00 0.00 +0.048 C ATOM 21 C LIG 1 -3.695 0.881 2.664 0.00 0.00 +0.227 C ENDBRANCH 19 21 ENDBRANCH 10 19 ENDBRANCH 1 12 BRANCH 6 22 ATOM 22 C LIG 1 3.145 -3.098 -4.138 0.00 0.00 +0.375 C ATOM 23 O LIG 1 4.354 -3.254 -4.068 0.00 0.00 -0.242 OA BRANCH 22 24 ATOM 24 O LIG 1 2.482 -3.487 -5.251 0.00 0.00 -0.475 OA ATOM 25 H LIG 1 3.182 -3.849 -5.832 0.00 0.00 +0.296 HD ENDBRANCH 22 24 ENDBRANCH 6 22 BRANCH 8 26 ATOM 26 N LIG 1 2.799 -1.131 0.210 0.00 0.00 -0.324 N ATOM 27 H LIG 1 2.292 -1.395 1.044 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 4.248 -1.335 0.333 0.00 0.00 +0.072 C ATOM 29 C LIG 1 4.534 -2.764 0.795 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 4.792 -0.266 1.303 0.00 0.00 +0.009 C ATOM 31 C LIG 1 6.287 -0.308 1.712 0.00 0.00 +0.005 C ATOM 32 C LIG 1 5.861 -0.853 3.087 0.00 0.00 +0.001 C ATOM 33 C LIG 1 4.442 -0.325 2.814 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 -0.186 -0.214 0.803 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 0.385 1.215 0.744 0.00 0.00 +0.009 C ATOM 36 C LIG 1 0.664 1.722 2.172 0.00 0.00 +0.005 C ATOM 37 C LIG 1 0.508 3.235 2.338 0.00 0.00 +0.003 C ATOM 38 C LIG 1 0.924 4.032 1.100 0.00 0.00 -0.014 C ATOM 39 C LIG 1 2.439 3.973 0.880 0.00 0.00 +0.007 C ATOM 40 C LIG 1 0.153 3.576 -0.152 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.507 2.198 -0.021 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 11