REMARK  Name = BDB003396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.233   1.690  -2.397  0.00  0.00    +0.145 C 
ATOM      2  N   LIG    1        0.678   1.000  -3.006  0.00  0.00    -0.187 NA
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        1.538   1.902   0.252  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1        0.060   1.725   0.129  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -0.672   1.645  -0.996  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -2.090   1.714  -0.556  0.00  0.00    +0.281 A 
ATOM      7  O   LIG    1       -3.030   1.742  -1.333  0.00  0.00    -0.265 OA
ATOM      8  N   LIG    1       -2.062   1.745   0.840  0.00  0.00    -0.219 N 
ATOM      9  N   LIG    1       -0.727   1.713   1.277  0.00  0.00    -0.294 N 
ATOM     10  H   LIG    1       -0.495   2.486   1.904  0.00  0.00    +0.187 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.127   1.760   1.766  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1       -2.880   1.665   3.146  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -3.930   1.686   4.070  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.245   1.800   3.629  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.508   1.889   2.265  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.458   1.867   1.342  0.00  0.00    +0.028 A 
ENDBRANCH   8  11
ENDBRANCH   1   5
BRANCH   2  17
ATOM     17  N   LIG    1        1.262  -0.027  -2.325  0.00  0.00    -0.203 N 
ATOM     18  H   LIG    1        0.836  -0.378  -1.469  0.00  0.00    +0.178 HD
ATOM     19  C   LIG    1        2.309  -0.740  -2.877  0.00  0.00    +0.267 C 
ATOM     20  O   LIG    1        2.867  -0.458  -3.935  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        2.781  -1.927  -2.090  0.00  0.00    +0.080 A 
ATOM     22  C   LIG    1        2.201  -2.366  -0.887  0.00  0.00    +0.132 A 
ATOM     23  C   LIG    1        2.707  -3.485  -0.219  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1        3.793  -4.171  -0.751  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        4.385  -3.762  -1.939  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        3.878  -2.642  -2.605  0.00  0.00    +0.020 A 
BRANCH  22  27
ATOM     27  O   LIG    1        1.126  -1.708  -0.342  0.00  0.00    -0.506 OA
ATOM     28  H   LIG    1        0.829  -2.198   0.448  0.00  0.00    +0.292 HD
ENDBRANCH  22  27
BRANCH  24  29
ATOM     29  O   LIG    1        4.253  -5.256  -0.065  0.00  0.00    -0.507 OA
ATOM     30  H   LIG    1        4.997  -5.644  -0.555  0.00  0.00    +0.292 HD
ENDBRANCH  24  29
ENDBRANCH  19  21
ENDBRANCH   2  17
TORSDOF 6