REMARK  Name = BDB037003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.652  -0.521  -0.694  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.573   0.241  -0.339  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -1.360   0.814   0.715  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.657   0.246  -1.483  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -1.252  -0.508  -2.481  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.647  -0.723  -3.701  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        0.603  -0.138  -3.894  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        1.207   0.635  -2.875  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        0.593   0.838  -1.628  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -2.542  -0.974  -1.980  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -3.325  -1.648  -2.621  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -6.612   0.274   3.027  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.781  -0.018   2.172  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.605   0.766   1.059  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.155   1.613   1.023  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.678   0.610   0.052  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -4.584   1.448  -0.843  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -3.861  -0.685   0.099  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -3.612  -1.100   1.546  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -4.948  -1.276   2.253  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        1.125   1.648  -0.633  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1        0.605   1.595   0.249  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.559   1.847  -0.461  0.00  0.00    +0.105 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.267   0.584   0.053  0.00  0.00    +0.008 C 
ATOM     25  C   LIG    1        2.794   0.166   1.452  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1        3.505  -1.112   1.913  0.00  0.00    +0.081 C 
ATOM     27  N   LIG    1        4.894  -1.241   1.463  0.00  0.00    -0.316 NA
ATOM     28  H   LIG    1        4.915  -1.791   0.604  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        5.500   0.060   1.203  0.00  0.00    +0.081 C 
ATOM     30  C   LIG    1        4.797   0.789   0.055  0.00  0.00    +0.020 C 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 4