REMARK Name = BDB019924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.575 -1.642 -1.305 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.259 -2.767 -1.309 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.643 -2.632 -1.482 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.171 -1.344 -1.677 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.349 -0.205 -1.691 0.00 0.00 -0.026 A ATOM 6 C LIG 1 0.031 -0.367 -1.503 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.523 -3.812 -1.467 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -3.477 -4.037 -0.444 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -3.659 -3.081 0.706 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -4.304 -5.171 -0.510 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.173 -6.079 -1.554 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -4.966 -7.157 -1.595 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -3.232 -5.884 -2.553 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.413 -4.756 -2.509 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.709 -0.817 -0.485 0.00 0.00 -0.307 N ATOM 16 H LIG 1 2.173 -0.136 0.035 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 2.035 -1.845 -1.107 0.00 0.00 +0.244 C ATOM 18 O LIG 1 2.571 -2.888 -1.463 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 4.097 -0.972 -0.119 0.00 0.00 +0.140 C BRANCH 19 24 ATOM 20 C LIG 1 5.692 2.474 -0.379 0.00 0.00 +0.124 A ATOM 21 C LIG 1 5.708 2.866 0.965 0.00 0.00 +0.091 A ATOM 22 C LIG 1 5.218 2.020 1.959 0.00 0.00 +0.124 A ATOM 23 C LIG 1 4.705 0.771 1.601 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.686 0.358 0.263 0.00 0.00 -0.023 A ATOM 25 C LIG 1 5.176 1.225 -0.727 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 6.274 3.029 -2.618 0.00 0.00 +0.277 C ATOM 27 O LIG 1 6.198 3.403 -1.248 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 5.174 2.292 3.299 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 5.755 3.519 3.723 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -1.948 1.174 -1.866 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -2.372 1.722 -0.594 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -3.641 1.545 -0.012 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -4.691 0.982 -0.497 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -4.511 0.666 -1.446 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -3.507 2.125 1.257 0.00 0.00 -0.314 N ATOM 36 C LIG 1 -2.206 2.532 1.470 0.00 0.00 +0.107 A ATOM 37 C LIG 1 -1.518 2.312 0.341 0.00 0.00 +0.107 A BRANCH 35 38 ATOM 38 C LIG 1 -4.442 1.866 2.341 0.00 0.00 +0.090 C ATOM 39 C LIG 1 -5.819 2.476 2.347 0.00 0.00 +0.027 C ATOM 40 C LIG 1 -4.803 2.920 3.356 0.00 0.00 +0.027 C ENDBRANCH 35 38 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9