REMARK  Name = BDB049959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.703   0.415  -0.271  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        1.644   0.716   0.792  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.395   0.246   0.221  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.818   0.577   0.809  0.00  0.00    +0.267 C 
ATOM      5  O   LIG    1       -0.835   1.194   1.878  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.632  -0.544  -0.979  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        2.130  -0.821  -0.966  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.090   0.192   0.155  0.00  0.00    +0.147 A 
ATOM      9  N   LIG    1       -2.203  -0.360  -1.069  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1       -3.522  -0.516  -1.254  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -3.836  -0.921  -2.130  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -4.285  -0.090  -0.205  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -3.384   0.379   0.724  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.780  -0.174  -0.212  0.00  0.00    +0.031 C 
ATOM     15  C   LIG    1       -6.406   1.217  -0.120  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -6.282  -1.070   0.920  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1        5.143   0.214  -0.547  0.00  0.00    +0.213 C 
ATOM     18  N   LIG    1        4.031   0.190   0.270  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        4.115  -0.258   1.175  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        5.099   0.507  -1.736  0.00  0.00    -0.276 OA
BRANCH  17  22
ATOM     21  C   LIG    1        7.639  -0.106  -0.713  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        6.417  -0.155   0.187  0.00  0.00    +0.092 C 
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 4