REMARK Name = BDB025730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.971 -1.266 0.061 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.551 0.089 0.129 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.791 0.438 -0.071 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.762 -0.535 -0.368 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.323 -1.863 -0.454 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.192 -2.843 -0.750 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.010 -2.227 -0.248 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.934 -4.901 -0.756 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.005 -4.029 0.102 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.403 -4.044 1.535 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -3.286 -5.375 2.137 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.562 -3.088 2.292 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.671 -1.651 1.750 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.320 -1.570 0.313 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.001 -2.592 -0.512 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.169 -0.167 -0.586 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.568 0.953 -1.289 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.854 1.314 -1.503 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.820 0.534 -0.993 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.540 -0.579 -0.296 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 4.239 -0.899 -0.112 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 7.155 0.871 -1.225 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.366 2.302 -1.493 0.00 0.00 +0.136 C ATOM 24 C LIG 1 8.845 2.563 -1.819 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.711 2.075 -0.781 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 9.534 0.658 -0.625 0.00 0.00 +0.179 C ATOM 27 C LIG 1 8.089 0.305 -0.241 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.576 1.030 0.356 0.00 0.00 -0.279 N ATOM 29 H LIG 1 -2.490 0.596 0.439 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.494 2.402 0.491 0.00 0.00 +0.269 C ATOM 31 O LIG 1 -0.446 3.042 0.505 0.00 0.00 -0.268 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.813 3.049 0.651 0.00 0.00 +0.155 A ATOM 33 C LIG 1 -4.055 2.705 0.023 0.00 0.00 +0.032 A ATOM 34 C LIG 1 -4.986 3.606 0.536 0.00 0.00 +0.069 A ATOM 35 C LIG 1 -6.340 3.589 0.173 0.00 0.00 +0.028 A ATOM 36 C LIG 1 -6.749 2.625 -0.752 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -5.840 1.722 -1.297 0.00 0.00 +0.001 A ATOM 38 N LIG 1 -4.271 4.415 1.381 0.00 0.00 -0.266 N ATOM 39 C LIG 1 -4.788 5.527 2.143 0.00 0.00 +0.173 C ATOM 40 C LIG 1 -4.491 1.753 -0.924 0.00 0.00 +0.012 A ATOM 41 N LIG 1 -2.970 4.102 1.476 0.00 0.00 -0.166 NA ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5