REMARK  Name = BDB004789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.654   0.418  -0.622  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        2.298   0.326  -0.327  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        1.731  -0.874   0.189  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        2.537  -2.004   0.393  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1        2.012  -3.165   0.822  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        0.703  -3.200   1.075  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1       -0.150  -2.184   0.934  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        3.900  -1.875   0.101  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        0.364  -1.021   0.505  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        4.459  -0.689  -0.400  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        4.817  -3.008   0.340  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        4.975  -3.502   1.446  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.517  -3.444  -0.753  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.275  -3.168  -1.694  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.070  -4.282  -0.627  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   9  16
ATOM     16  N   LIG    1       -0.497   0.088   0.353  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.125   0.841   0.930  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.923  -0.129   0.680  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.540   1.246   0.940  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1       -2.498   2.261  -0.030  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -3.056   3.507   0.237  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1       -3.002   4.466  -0.697  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -3.661   3.775   1.458  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -3.710   2.779   2.431  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.152   1.523   2.175  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -2.656  -0.884  -0.480  0.00  0.00    +0.110 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.096  -1.169  -0.256  0.00  0.00    -0.306 NA
ATOM     28  C   LIG    1       -4.712  -1.633  -1.501  0.00  0.00    +0.104 C 
ATOM     29  C   LIG    1       -4.282  -2.175   0.792  0.00  0.00    +0.104 C 
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   9  16
BRANCH   1  30
ATOM     30  O   LIG    1        4.303   1.510  -1.121  0.00  0.00    -0.492 OA
BRANCH  30  32
ATOM     31  C   LIG    1        4.454   3.760  -1.892  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1        3.526   2.685  -1.355  0.00  0.00    +0.225 C 
ENDBRANCH  30  32
ENDBRANCH   1  30
TORSDOF 8