REMARK  Name = BDB048159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.031  -1.762   0.801  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.300  -1.624   0.230  0.00  0.00    +0.132 A 
ATOM      3  N   LIG    1       -1.970  -2.711  -0.223  0.00  0.00    -0.237 NA
ATOM      4  C   LIG    1       -1.419  -3.942  -0.064  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -2.210  -5.114  -0.562  0.00  0.00    +0.065 C 
ATOM      6  C   LIG    1       -0.180  -4.141   0.533  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        0.525  -3.031   0.975  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        2.093   1.405   0.853  0.00  0.00    +0.076 C 
ATOM      9  N   LIG    1        1.425   0.184   0.361  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        0.734  -0.603   1.284  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1        0.740  -0.406   2.497  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        1.369  -0.032  -1.091  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1        2.600   0.515  -1.804  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        2.835   1.998  -1.516  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        2.132   2.476  -0.247  0.00  0.00    +0.022 C 
BRANCH   8  17
ATOM     16  C   LIG    1        4.172   2.241   2.099  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1        3.477   1.058   1.440  0.00  0.00    +0.019 C 
ENDBRANCH   8  17
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  N   LIG    1       -1.870  -0.352   0.045  0.00  0.00    -0.321 N 
ATOM     19  H   LIG    1       -1.788   0.185   0.908  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.259  -0.363  -0.406  0.00  0.00    +0.177 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.833   1.011  -0.510  0.00  0.00    +0.122 A 
ATOM     22  O   LIG    1       -4.234   1.595   0.657  0.00  0.00    -0.466 OA
ATOM     23  C   LIG    1       -4.707   2.828   0.341  0.00  0.00    +0.195 A 
ATOM     24  C   LIG    1       -4.612   3.048  -1.014  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -4.044   1.874  -1.565  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5