REMARK  Name = BDB019684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.811  -0.205   0.539  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.671  -1.264  -0.364  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -1.264  -1.180  -1.621  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -1.997  -0.042  -1.972  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.155   1.024  -1.074  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -1.569   0.922   0.196  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.025  -1.407   2.402  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.146  -0.314   1.863  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        0.346   0.864   2.384  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        0.415   1.669   1.777  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.163   0.870   3.576  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.624   0.757   3.224  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1        3.225  -0.506   3.099  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        4.572  -0.625   2.744  0.00  0.00    +0.060 A 
ATOM     15 CL   LIG    1        5.235  -2.217   2.618  0.00  0.00    -0.082 Cl
ATOM     16  C   LIG    1        5.331   0.524   2.502  0.00  0.00    +0.059 A 
ATOM     17 CL   LIG    1        6.999   0.458   2.058  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        4.737   1.785   2.613  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        3.391   1.901   2.968  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  O   LIG    1       -1.185  -2.140  -2.599  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -0.561  -3.409  -2.294  0.00  0.00    +0.173 C 
ATOM     22  C   LIG    1       -0.620  -4.446  -3.444  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -1.883  -5.024  -2.783  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -1.391  -4.417  -1.458  0.00  0.00    +0.044 C 
ENDBRANCH  20  21
ENDBRANCH   3  20
BRANCH   5  25
ATOM     25  C   LIG    1       -2.977   2.229  -1.470  0.00  0.00    +0.158 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.282   3.477  -1.200  0.00  0.00    -0.332 N 
ATOM     27  C   LIG    1       -1.150   3.916  -1.826  0.00  0.00    +0.199 A 
ATOM     28  N   LIG    1       -0.759   5.076  -1.348  0.00  0.00    -0.244 NA
ATOM     29  C   LIG    1       -1.689   5.409  -0.398  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1       -2.647   4.429  -0.288  0.00  0.00    +0.107 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7