REMARK Name = BDB024503 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.257 -1.616 0.488 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.719 -0.380 0.086 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.593 0.816 0.001 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.584 0.703 -1.172 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.851 2.153 -0.160 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.605 2.175 0.695 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.724 1.054 0.229 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.326 1.209 0.116 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.560 2.317 0.372 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.689 1.966 0.138 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.754 0.657 -0.308 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.531 0.147 -0.296 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.073 -1.106 -0.593 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.461 -1.256 -0.465 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.296 -0.206 -0.057 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.638 -2.664 0.642 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.966 -0.054 -0.710 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.334 -1.195 0.256 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -3.084 -2.346 -0.424 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -4.054 -1.872 -1.523 0.00 0.00 +0.065 C ATOM 21 C LIG 1 -4.752 -3.084 -2.170 0.00 0.00 +0.023 C ATOM 22 C LIG 1 -3.284 -1.096 -2.627 0.00 0.00 +0.020 C ATOM 23 C LIG 1 -1.938 -0.511 -2.173 0.00 0.00 +0.026 C BRANCH 20 24 ATOM 24 C LIG 1 -5.137 -0.989 -0.894 0.00 0.00 +0.311 C ATOM 25 O LIG 1 -5.329 0.197 -1.110 0.00 0.00 -0.250 OA BRANCH 24 26 ATOM 26 O LIG 1 -5.896 -1.635 0.014 0.00 0.00 -0.480 OA ATOM 27 H LIG 1 -6.505 -0.946 0.354 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 20 24 ENDBRANCH 11 17 BRANCH 1 29 ATOM 28 C LIG 1 7.191 -2.760 1.190 0.00 0.00 +0.282 C ATOM 29 O LIG 1 6.597 -1.536 0.752 0.00 0.00 -0.453 OA ENDBRANCH 1 29 BRANCH 10 30 ATOM 30 C LIG 1 -1.870 2.872 0.339 0.00 0.00 +0.109 C BRANCH 30 31 ATOM 31 C LIG 1 -2.751 2.483 1.508 0.00 0.00 -0.040 A ATOM 32 C LIG 1 -4.140 2.371 1.344 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.957 2.029 2.424 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.397 1.800 3.679 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.021 1.920 3.858 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.203 2.267 2.782 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6