REMARK  Name = BDB002353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.949   0.994  -1.044  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1        0.465   1.287  -0.958  0.00  0.00    +0.273 A 
ATOM      3  O   LIG    1       -0.058   1.400   0.154  0.00  0.00    -0.266 OA
ATOM      4  N   LIG    1       -0.221   1.425  -2.160  0.00  0.00    -0.305 N 
ATOM      5  C   LIG    1        0.401   1.256  -3.384  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        1.710   0.992  -3.460  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        2.502   0.868  -2.260  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        3.929   0.641   0.426  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.592   0.881   0.173  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1        1.965   0.997   0.968  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        4.801   0.504  -0.430  0.00  0.00    -0.274 OA
BRANCH   8  12
ATOM     12  C   LIG    1        4.252   0.589   1.939  0.00  0.00    +0.137 C 
ATOM     13  C   LIG    1        4.367   2.015   2.471  0.00  0.00    +0.034 C 
BRANCH  12  15
ATOM     14  C   LIG    1        5.383  -1.561   2.048  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1        5.529  -0.115   2.186  0.00  0.00    -0.309 NA
ATOM     16  H   LIG    1        6.193   0.204   1.473  0.00  0.00    +0.122 HD
ENDBRANCH  12  15
ENDBRANCH   8  12
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  C   LIG    1       -1.657   1.674  -2.101  0.00  0.00    +0.222 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.455   0.370  -2.058  0.00  0.00    +0.249 C 
ATOM     19  N   LIG    1       -3.579   0.433  -1.243  0.00  0.00    -0.235 N 
ATOM     20  H   LIG    1       -3.992   1.324  -0.981  0.00  0.00    +0.173 HD
ATOM     21  O   LIG    1       -2.171  -0.629  -2.719  0.00  0.00    -0.272 OA
BRANCH  19  22
ATOM     22  N   LIG    1       -4.488  -0.637  -1.344  0.00  0.00    -0.264 N 
ATOM     23  H   LIG    1       -4.144  -1.335  -2.020  0.00  0.00    +0.170 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.772  -1.273  -0.106  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -5.271  -2.584  -0.130  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1       -5.642  -3.239   1.049  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.542  -2.580   2.271  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.085  -1.265   2.312  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.718  -0.612   1.130  0.00  0.00    +0.024 A 
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7