REMARK  Name = BDB061974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.886   0.281   0.280  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.204  -0.713  -0.434  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        1.193  -0.816  -0.374  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.937   0.073   0.401  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.262   1.068   1.117  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.133   1.170   1.056  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -8.126   1.538   0.536  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -6.788   0.933   0.196  0.00  0.00    -0.045 A 
ATOM      9  C   LIG    1       -6.689  -0.184  -0.671  0.00  0.00    -0.044 A 
ATOM     10  C   LIG    1       -7.920  -0.804  -1.281  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.433  -0.743  -0.982  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -4.327  -0.140  -0.397  0.00  0.00    +0.156 A 
ATOM     13  C   LIG    1       -4.379   0.949   0.452  0.00  0.00    +0.110 A 
ATOM     14  N   LIG    1       -3.112   1.293   0.850  0.00  0.00    -0.209 NA
ATOM     15  C   LIG    1       -2.341   0.411   0.236  0.00  0.00    +0.228 A 
ATOM     16  O   LIG    1       -3.018  -0.494  -0.543  0.00  0.00    -0.435 OA
ATOM     17  C   LIG    1       -5.626   1.504   0.762  0.00  0.00    +0.035 A 
ENDBRANCH   1  15
BRANCH   4  18
ATOM     18  N   LIG    1        3.343   0.041   0.515  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1        3.744   0.747   1.121  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        4.213  -0.864  -0.059  0.00  0.00    +0.250 C 
ATOM     21  O   LIG    1        3.916  -1.801  -0.791  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        5.665  -0.636   0.199  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1        6.204  -0.199   1.420  0.00  0.00    +0.053 A 
ATOM     24 CL   LIG    1        5.249   0.120   2.824  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        7.589  -0.026   1.554  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        8.447  -0.293   0.485  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        7.915  -0.742  -0.729  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1        6.533  -0.916  -0.875  0.00  0.00    +0.047 A 
BRANCH  27  29
ATOM     29  N   LIG    1        8.813  -1.027  -1.856  0.00  0.00    +0.056 N 
ATOM     30  O   LIG    1       10.032  -0.986  -1.641  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1        8.297  -1.282  -2.952  0.00  0.00    -0.126 OA
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH   4  18
TORSDOF 4