REMARK  Name = BDB003357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.231  -1.094   1.074  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        1.406  -1.071   0.322  0.00  0.00    -0.204 N 
ATOM      3  H   LIG    1        1.485  -1.624  -0.523  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.057  -0.477   2.121  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  N   LIG    1        2.458  -0.319   0.749  0.00  0.00    -0.184 NA
ATOM      6  C   LIG    1        3.542  -0.325   0.045  0.00  0.00    +0.075 C 
ATOM      7  C   LIG    1        4.727   0.445   0.416  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        5.729   0.244  -0.525  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        6.964   0.857  -0.419  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        7.174   1.696   0.680  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.159   1.901   1.635  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.252  -0.670  -1.562  0.00  0.00    +0.170 C 
ATOM     13  O   LIG    1        5.908  -1.033  -2.520  0.00  0.00    -0.292 OA
ATOM     14  C   LIG    1        4.917   1.271   1.509  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.833  -1.070  -1.235  0.00  0.00    +0.137 C 
ENDBRANCH   2   5
BRANCH   1  16
ATOM     16  C   LIG    1       -0.840  -1.979   0.424  0.00  0.00    +0.326 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -2.073  -2.098   1.115  0.00  0.00    -0.483 OA
BRANCH  17  21
ATOM     18  C   LIG    1       -5.234   0.470   0.189  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1       -5.444  -0.833   0.654  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.358  -1.657   0.957  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -3.050  -1.202   0.782  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -2.833   0.099   0.332  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -3.920   0.928   0.030  0.00  0.00    +0.007 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -6.820   1.216  -1.604  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -6.401   1.361  -0.149  0.00  0.00    +0.032 C 
ENDBRANCH  18  25
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5