REMARK  Name = BDB048519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.513   0.784   0.048  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -1.338  -0.362  -0.081  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.721  -0.188  -0.008  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.276   1.082   0.187  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.467   2.221   0.315  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -1.075   2.050   0.241  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -0.719  -1.616  -0.250  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -0.531  -2.368   1.013  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -1.694  -3.337   1.313  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -1.949  -4.264   0.192  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -3.046  -5.175   0.512  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -2.249  -3.491  -1.030  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.160  -2.452  -1.387  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   5  14
ATOM     14  C   LIG    1       -3.059   3.555   0.524  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1       -4.103   4.022  -0.283  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -4.630   5.283  -0.045  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -4.198   6.105   0.932  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1       -3.188   5.647   1.700  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -2.597   4.404   1.538  0.00  0.00    +0.028 A 
ENDBRANCH   5  14
BRANCH   1  21
ATOM     20  C   LIG    1        1.906   1.452   0.037  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1        0.876   0.549  -0.058  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        1.076  -0.434  -0.228  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        1.829   2.658   0.236  0.00  0.00    -0.270 OA
BRANCH  20  28
ATOM     24  C   LIG    1        5.689  -1.861   0.904  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        5.080  -0.690   0.182  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.784  -0.214   0.484  0.00  0.00    +0.059 A 
ATOM     27 CL   LIG    1        2.885  -0.975   1.758  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        3.256   0.891  -0.211  0.00  0.00    +0.058 A 
ATOM     29  C   LIG    1        4.024   1.548  -1.185  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1        5.300   1.068  -1.475  0.00  0.00    +0.162 A 
ATOM     31  C   LIG    1        5.827  -0.031  -0.806  0.00  0.00    +0.158 A 
ATOM     32  F   LIG    1        7.070  -0.456  -1.075  0.00  0.00    -0.203 F 
BRANCH  30  33
ATOM     33  N   LIG    1        6.090   1.723  -2.494  0.00  0.00    +0.059 N 
ATOM     34  O   LIG    1        6.158   2.958  -2.443  0.00  0.00    -0.126 OA
ATOM     35  O   LIG    1        6.608   1.009  -3.362  0.00  0.00    -0.126 OA
ENDBRANCH  30  33
ENDBRANCH  20  28
ENDBRANCH   1  21
TORSDOF 5