REMARK  Name = BDB004775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.589  -0.001  -0.718  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        0.746  -0.424  -0.900  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.124  -0.792  -2.204  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        2.459  -1.202  -2.402  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1        3.384  -1.255  -1.338  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1        3.001  -0.906  -0.055  0.00  0.00    +0.122 A 
ATOM      7  N   LIG    1        0.226  -0.751  -3.212  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1       -1.021  -0.365  -2.923  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.689  -0.497   0.156  0.00  0.00    +0.059 A 
ATOM     10  N   LIG    1       -1.469  -0.001  -1.725  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        2.998  -1.613  -3.738  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        4.147  -2.024  -3.865  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        2.184  -1.522  -4.826  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        1.213  -1.238  -4.729  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        2.526  -1.838  -5.723  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -1.014   0.400   0.561  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.362   1.103   0.899  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.401   0.860   0.795  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.641   2.231   0.171  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1       -3.423   2.409  -0.979  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -3.598   3.679  -1.522  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1       -4.344   3.827  -2.624  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -3.011   4.796  -0.942  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -2.232   4.642   0.202  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -2.048   3.370   0.753  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -3.461  -0.268   0.550  0.00  0.00    +0.110 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -5.757  -1.017   0.517  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1       -4.846   0.022   1.008  0.00  0.00    -0.306 NA
ATOM     29  C   LIG    1       -4.937   0.108   2.465  0.00  0.00    +0.104 C 
ENDBRANCH  26  28
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   6  30
ATOM     30  O   LIG    1        3.788  -0.917   1.059  0.00  0.00    -0.492 OA
BRANCH  30  31
ATOM     31  C   LIG    1        5.135  -1.364   0.905  0.00  0.00    +0.232 C 
BRANCH  31  32
ATOM     32  C   LIG    1        5.801  -1.288   2.245  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1        5.643  -2.406   3.244  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        6.970  -2.182   2.572  0.00  0.00    +0.007 C 
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH   6  30
TORSDOF 9