REMARK  Name = BDB004737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.901   0.001   0.359  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.043   0.762   0.028  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.264   0.352   0.598  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.414   1.109   0.289  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.349   2.227  -0.565  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.146   2.612  -1.133  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.308  -0.733   1.404  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.169  -1.397   1.629  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.001   1.884  -0.839  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.969  -1.083   1.145  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.774   0.793   0.831  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.758   1.458   0.524  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.907  -0.260   1.685  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.109  -0.843   1.922  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.825  -0.496   2.033  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.354   0.378  -0.166  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.523   1.345   0.103  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.511  -0.460   0.202  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.770   0.386   0.002  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1       -3.072   0.962  -1.243  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -4.217   1.737  -1.395  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1       -4.489   2.284  -2.588  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -5.079   1.960  -0.329  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -4.793   1.397   0.912  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.645   0.616   1.078  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -1.552  -1.770  -0.649  0.00  0.00    +0.107 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -2.619  -3.896  -1.069  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1       -2.599  -2.717  -0.212  0.00  0.00    -0.317 NA
ATOM     29  H   LIG    1       -2.403  -3.004   0.746  0.00  0.00    +0.122 HD
ENDBRANCH  26  28
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6