REMARK  Name = BDB017565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.333   2.054   2.193  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        2.755   0.861   1.476  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1        3.433   0.126   0.472  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.818  -1.060   0.015  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1        3.505  -1.927  -0.841  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        3.093  -2.806  -1.120  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        4.789  -1.730  -1.251  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1        5.410  -0.433  -0.891  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        6.766  -0.157  -1.487  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        7.436   1.075  -0.875  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1        6.431   2.210  -0.739  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1        5.283   1.752   0.037  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1        4.549   2.455   0.080  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1        5.377  -2.571  -1.925  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        1.538  -1.447   0.428  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        0.834  -0.671   1.347  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1        4.757   0.472  -0.132  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        1.457   0.467   1.871  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1       -0.553  -1.071   1.804  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.571  -0.047   1.525  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -1.744   0.164   0.068  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1       -3.141   0.682  -0.343  0.00  0.00    +0.120 C 
ATOM     23  N   LIG    1       -4.184  -0.278   0.057  0.00  0.00    -0.327 N 
ATOM     24  C   LIG    1       -3.908  -1.071   1.268  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -2.861  -0.375   2.169  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.418  -0.326  -0.569  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -5.881   0.720  -1.384  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -7.128   0.672  -2.022  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -7.952  -0.440  -1.864  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -7.520  -1.497  -1.065  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -6.271  -1.434  -0.432  0.00  0.00    +0.024 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -9.228  -0.497  -2.514  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1      -10.261  -0.543  -3.040  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 4