REMARK  Name = BDB004135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.401   3.276   1.063  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        1.861   1.909   1.006  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1        1.079   0.794   0.896  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.974  -0.276   0.884  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.426  -1.577   0.849  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.037  -1.758   0.773  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.832  -0.665   0.755  0.00  0.00    -0.045 A 
ATOM      8  C   LIG    1        3.281   0.324   0.969  0.00  0.00    +0.158 A 
ATOM      9  C   LIG    1       -0.315   0.636   0.818  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1        3.171   1.655   1.116  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1        4.566  -0.262   0.966  0.00  0.00    -0.238 N 
ATOM     12  C   LIG    1        4.806  -1.440   0.277  0.00  0.00    +0.314 C 
ATOM     13  O   LIG    1        3.983  -2.126  -0.324  0.00  0.00    -0.252 OA
ATOM     14  N   LIG    1        6.103  -1.888   0.244  0.00  0.00    -0.240 N 
ATOM     15  H   LIG    1        6.008  -2.799  -0.196  0.00  0.00    +0.159 HD
ATOM     16  C   LIG    1        6.985  -1.224  -0.565  0.00  0.00    +0.220 C 
ATOM     17  O   LIG    1        7.374  -1.735  -1.614  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.580   0.061  -0.038  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.579   1.080   0.478  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1        5.679   0.490   1.554  0.00  0.00    +0.117 C 
ENDBRANCH   8  11
BRANCH   7  21
ATOM     21  C   LIG    1       -2.321  -0.884   0.646  0.00  0.00    +0.046 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.764  -1.000  -0.805  0.00  0.00    +0.125 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.254  -1.188  -0.863  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -4.802  -2.280  -0.837  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.874   0.021  -0.908  0.00  0.00    -0.459 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -6.322   0.112  -0.944  0.00  0.00    +0.105 C 
ATOM     27  C   LIG    1       -6.616   1.619  -0.995  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1       -6.890  -0.541  -2.208  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1       -6.946  -0.466   0.331  0.00  0.00    +0.055 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 6