REMARK Name = BDB038921 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.952 0.606 -0.337 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.737 0.784 -0.974 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.599 0.037 -0.452 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.261 0.453 -1.008 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.143 1.439 -2.014 0.00 0.00 -0.039 A ATOM 6 C LIG 1 0.887 1.807 -2.513 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.287 1.203 -2.055 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.160 0.224 -1.063 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -1.074 -0.542 -0.362 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.367 -1.425 0.437 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.924 -1.158 0.366 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.381 2.139 -2.517 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.075 -0.158 -0.555 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.628 1.277 -2.341 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.088 0.003 0.721 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.895 -2.575 1.260 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.897 -2.177 2.347 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -2.303 -3.382 3.194 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -2.847 -4.512 2.325 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -1.851 -4.921 1.242 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.411 -3.730 0.390 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.262 0.994 -0.401 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.987 1.171 -1.015 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.519 -0.405 -0.482 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 -3.108 0.640 0.486 0.00 0.00 +0.147 C BRANCH 25 26 ATOM 26 C LIG 1 -2.967 2.077 0.004 0.00 0.00 -0.029 A ATOM 27 C LIG 1 -3.710 2.564 -1.085 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -3.546 3.882 -1.511 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -4.260 4.325 -2.556 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -2.649 4.725 -0.869 0.00 0.00 +0.158 A ATOM 31 F LIG 1 -2.493 5.989 -1.287 0.00 0.00 -0.202 F ATOM 32 C LIG 1 -1.902 4.263 0.207 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -2.059 2.943 0.643 0.00 0.00 +0.007 A ENDBRANCH 25 26 BRANCH 25 34 ATOM 34 C LIG 1 -4.549 0.305 0.821 0.00 0.00 +0.314 C ATOM 35 O LIG 1 -5.104 0.515 1.888 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -5.249 -0.228 -0.203 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -6.156 -0.339 0.163 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 25 34 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7