REMARK  Name = BDB048156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.246   0.331  -0.812  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1        1.223   0.289   0.167  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1        2.272  -0.550   0.039  0.00  0.00    -0.216 NA
ATOM      4  C   LIG    1        2.386  -1.292  -1.085  0.00  0.00    +0.136 A 
ATOM      5  N   LIG    1        1.508  -1.245  -2.103  0.00  0.00    -0.239 NA
ATOM      6  C   LIG    1        0.458  -0.417  -1.948  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.559  -2.267  -1.167  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        3.685  -2.898  -2.567  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1        4.873  -1.529  -0.849  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1        3.338  -3.388  -0.137  0.00  0.00    +0.019 C 
ENDBRANCH   4   7
BRANCH   1  12
ATOM     11  N   LIG    1       -2.176   0.619  -0.385  0.00  0.00    -0.293 N 
ATOM     12  C   LIG    1       -0.937   1.187  -0.715  0.00  0.00    +0.252 C 
ATOM     13  O   LIG    1       -0.767   2.383  -0.946  0.00  0.00    -0.270 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -3.354   1.512  -0.395  0.00  0.00    +0.090 C 
ATOM     15  C   LIG    1       -4.056   1.500  -1.781  0.00  0.00    +0.103 C 
ATOM     16  N   LIG    1       -5.462   1.933  -1.769  0.00  0.00    -0.314 NA
ATOM     17  H   LIG    1       -5.697   2.332  -2.677  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -5.715   2.902  -0.710  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -5.524   2.265   0.669  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -4.370   1.256   0.725  0.00  0.00    +0.025 C 
ENDBRANCH  11  14
BRANCH  11  21
ATOM     21  C   LIG    1       -2.372  -0.824  -0.158  0.00  0.00    +0.108 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.085  -1.233   1.290  0.00  0.00    +0.019 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -0.795  -3.391   0.882  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -2.037  -2.750   1.485  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  11  21
ENDBRANCH   1  12
BRANCH   2  25
ATOM     25  N   LIG    1        1.087   1.039   1.347  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1        0.786   1.986   1.116  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        2.250   1.079   2.236  0.00  0.00    +0.177 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.300   2.078   1.871  0.00  0.00    +0.122 A 
ATOM     29  O   LIG    1        3.541   3.074   2.773  0.00  0.00    -0.466 OA
ATOM     30  C   LIG    1        4.517   3.859   2.248  0.00  0.00    +0.195 A 
ATOM     31  C   LIG    1        4.909   3.383   1.020  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        4.122   2.235   0.773  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 9