REMARK  Name = BDB001741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.044   1.527   0.358  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        0.970   0.617   0.002  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        0.926  -0.544  -0.766  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        2.097  -1.126  -0.746  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1        2.888  -0.271  -0.018  0.00  0.00    +0.184 A 
ATOM      6  N   LIG    1        2.249   0.818   0.425  0.00  0.00    -0.141 NA
ATOM      7  O   LIG    1        0.283   2.612   0.842  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        4.302  -0.539   0.228  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        5.092   0.363   0.959  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        6.446   0.100   1.192  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        7.019  -1.068   0.694  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        8.684  -1.392   0.980  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        6.252  -1.975  -0.033  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        4.898  -1.711  -0.266  0.00  0.00    +0.013 A 
ENDBRANCH   5   8
BRANCH   1  18
ATOM     15  C   LIG    1       -4.252   0.922  -0.133  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -3.465  -0.096   0.448  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1       -2.090   0.101   0.621  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1       -1.495   1.290   0.186  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1       -2.276   2.306  -0.370  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1       -3.650   2.120  -0.534  0.00  0.00    +0.050 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -6.436   1.689  -0.730  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -5.589   0.646  -0.268  0.00  0.00    -0.491 OA
ENDBRANCH  15  22
BRANCH  16  23
ATOM     23  O   LIG    1       -4.135  -1.236   0.818  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -3.374  -2.313   1.346  0.00  0.00    +0.277 C 
ENDBRANCH  16  23
ENDBRANCH   1  18
BRANCH   3  25
ATOM     25  N   LIG    1       -0.139  -1.007  -1.457  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1        0.086  -1.771  -2.094  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -0.783  -0.355  -1.898  0.00  0.00    +0.145 HD
ENDBRANCH   3  25
TORSDOF 5