REMARK  Name = BDB017019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.873  -0.057   0.689  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        2.823  -1.326   1.234  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        1.544  -1.609   1.341  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.767  -0.588   0.875  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        1.596   0.414   0.461  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        6.487   0.811   0.456  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        5.327   0.105   0.769  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        4.108   0.658   0.402  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        4.003   1.854  -0.233  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.144   2.525  -0.495  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.400   2.052  -0.173  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        8.744   1.030   1.141  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        7.828   0.298   0.808  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.952  -1.038   0.674  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.196  -1.493   0.258  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.681  -0.569   0.837  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.219  -1.103  -0.494  0.00  0.00    +0.126 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.690  -1.103  -0.541  0.00  0.00    -0.328 N 
ATOM     19  C   LIG    1       -3.419   0.079  -0.693  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1       -4.819   0.099  -0.484  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1       -5.556   1.290  -0.622  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -4.924   2.466  -1.004  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -3.560   2.467  -1.252  0.00  0.00    +0.022 A 
ATOM     24 CL   LIG    1       -5.833   3.915  -1.178  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -5.563  -1.147  -0.071  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -4.776  -2.398  -0.417  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -2.823   1.286  -1.102  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1       -3.357  -2.244   0.098  0.00  0.00    +0.105 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6