REMARK  Name = BDB031197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.328  -1.042  -1.343  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.889  -0.390  -1.367  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.216   0.567  -2.423  0.00  0.00    +0.144 C 
ATOM      4  C   LIG    1       -2.737   0.667  -2.355  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -3.041   0.511  -0.865  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.953  -0.449  -0.371  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1        1.133  -0.886  -2.268  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.523   1.869  -2.133  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1        0.845   1.991  -2.236  0.00  0.00    -0.347 N 
ATOM     10  H   LIG    1        1.474   1.231  -2.475  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        1.178   3.269  -1.890  0.00  0.00    +0.104 A 
ATOM     12  C   LIG    1       -0.015   3.882  -1.594  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1       -1.061   3.008  -1.742  0.00  0.00    -0.239 NA
ENDBRANCH   3   8
BRANCH   5  14
ATOM     14  O   LIG    1       -4.349  -0.007  -0.656  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -4.464  -0.796  -1.212  0.00  0.00    +0.210 HD
ENDBRANCH   5  14
BRANCH   1  16
ATOM     16  C   LIG    1        0.661  -1.905  -0.117  0.00  0.00    +0.149 C 
BRANCH  16  20
ATOM     17  C   LIG    1        1.353   0.199   2.629  0.00  0.00    +0.227 A 
ATOM     18  O   LIG    1        2.500   0.421   1.925  0.00  0.00    -0.338 OA
ATOM     19  N   LIG    1        2.420  -0.371   0.780  0.00  0.00    -0.061 NA
ATOM     20  C   LIG    1        1.235  -0.985   0.912  0.00  0.00    +0.184 A 
ATOM     21  N   LIG    1        0.554  -0.677   2.065  0.00  0.00    -0.195 NA
BRANCH  17  22
ATOM     22  C   LIG    1        1.166   0.982   3.873  0.00  0.00    +0.098 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -0.616   2.557   2.953  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        0.761   2.430   3.594  0.00  0.00    +0.006 C 
ENDBRANCH  22  24
ENDBRANCH  17  22
ENDBRANCH  16  20
BRANCH  16  25
ATOM     25  C   LIG    1        1.605  -3.085  -0.477  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        0.943  -4.030  -1.490  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1        1.997  -3.901   0.764  0.00  0.00    +0.008 C 
ENDBRANCH  16  25
ENDBRANCH   1  16
TORSDOF 7