REMARK  Name = BDB013723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.964  -1.206   1.839  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1       -1.957  -2.225   2.393  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -1.559  -0.071   1.119  0.00  0.00    -0.323 N 
ATOM      4  H   LIG    1       -0.908   0.699   1.053  0.00  0.00    +0.148 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -2.759   0.024   0.442  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1       -3.064   1.277  -0.319  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -4.252   1.326  -1.041  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.587   2.465  -1.790  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -3.731   3.563  -1.814  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.544   3.526  -1.089  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.170   0.177  -1.017  0.00  0.00    +0.275 A 
ATOM     12  O   LIG    1       -6.202   0.214  -1.683  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -4.792  -0.889  -0.217  0.00  0.00    -0.230 N 
ATOM     14  C   LIG    1       -5.622  -2.077  -0.145  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1       -2.209   2.391  -0.343  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.609  -0.961   0.461  0.00  0.00    -0.153 NA
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1        0.266  -1.890   1.107  0.00  0.00    +0.106 C 
BRANCH  17  21
ATOM     18  C   LIG    1        3.309   1.006  -0.097  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        3.518   0.156   0.986  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        2.536  -0.771   1.356  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        1.323  -0.872   0.652  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1        1.132  -0.016  -0.440  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        2.113   0.909  -0.807  0.00  0.00    +0.046 A 
BRANCH  18  24
ATOM     24  O   LIG    1        4.172   1.952  -0.570  0.00  0.00    -0.489 OA
BRANCH  24  26
ATOM     25  C   LIG    1        6.484   1.256  -0.366  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        5.395   2.203   0.130  0.00  0.00    +0.167 C 
ATOM     27  C   LIG    1        5.784   3.648  -0.172  0.00  0.00    +0.051 C 
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  17  21
BRANCH  17  28
ATOM     28  N   LIG    1       -0.011  -2.999   0.160  0.00  0.00    -0.300 NA
ATOM     29  C   LIG    1       -0.763  -2.667  -1.040  0.00  0.00    +0.105 C 
ATOM     30  C   LIG    1        1.182  -3.773  -0.178  0.00  0.00    +0.105 C 
ENDBRANCH  17  28
ENDBRANCH   1  17
TORSDOF 7