REMARK  Name = BDB048737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.298  -2.395  -0.425  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        1.111  -2.421  -0.599  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.398  -3.742  -0.864  0.00  0.00    +0.113 A 
ATOM      4  N   LIG    1        0.205  -4.403  -0.840  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1        0.037  -5.392  -0.996  0.00  0.00    +0.188 HD
ATOM      6  N   LIG    1       -0.848  -3.611  -0.576  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -4.516   1.790   0.859  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -4.366   0.423   0.586  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1       -3.064  -0.033   0.345  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -1.945   0.792   0.365  0.00  0.00    +0.090 A 
ATOM     11  N   LIG    1       -0.801   0.081   0.095  0.00  0.00    -0.226 NA
ATOM     12  C   LIG    1       -1.200  -1.161  -0.090  0.00  0.00    +0.160 A 
ATOM     13  C   LIG    1       -2.108   2.155   0.639  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -2.558  -1.271   0.053  0.00  0.00    -0.337 N 
ATOM     15  H   LIG    1       -3.065  -2.139  -0.047  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1       -3.401   2.637   0.884  0.00  0.00    +0.048 A 
BRANCH   7  18
ATOM     17  C   LIG    1       -6.877   1.616   1.112  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -5.705   2.420   1.120  0.00  0.00    -0.495 OA
ENDBRANCH   7  18
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1        2.038  -1.337  -0.524  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        3.377  -1.433  -0.581  0.00  0.00    +0.010 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.290  -0.284  -0.497  0.00  0.00    -0.006 A 
ATOM     22  C   LIG    1        4.030   0.846   0.287  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        4.961   1.886   0.342  0.00  0.00    +0.070 A 
ATOM     24  C   LIG    1        6.135   1.756  -0.384  0.00  0.00    +0.129 A 
ATOM     25  N   LIG    1        6.434   0.675  -1.140  0.00  0.00    -0.261 NA
ATOM     26  C   LIG    1        5.508  -0.315  -1.176  0.00  0.00    +0.118 A 
BRANCH  23  27
ATOM     27  C   LIG    1        4.724   3.054   1.129  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1        4.540   4.005   1.767  0.00  0.00    -0.191 NA
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH   2  19
TORSDOF 5