REMARK  Name = BDB012170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.206  -2.640   1.321  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.180  -1.677   0.658  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.563  -0.503   0.559  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        1.798  -0.398   1.335  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        2.083   1.042   1.745  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        2.185   1.977   0.529  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        1.387   1.470  -0.682  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1        0.177   0.649  -0.257  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.603   2.230   0.147  0.00  0.00    +0.221 A 
ATOM     10  O   LIG    1        4.406   1.145  -0.087  0.00  0.00    -0.420 OA
ATOM     11  C   LIG    1        5.597   1.744  -0.411  0.00  0.00    +0.248 A 
ATOM     12  N   LIG    1        5.523   3.060  -0.377  0.00  0.00    -0.107 NA
ATOM     13  N   LIG    1        4.229   3.375  -0.016  0.00  0.00    -0.112 NA
BRANCH  11  14
ATOM     14  C   LIG    1        6.721   0.876  -0.730  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        6.608  -0.517  -0.714  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        7.722  -1.277  -1.030  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        8.920  -0.749  -1.357  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        9.011   0.597  -1.367  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        7.955   1.439  -1.066  0.00  0.00    +0.033 A 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   2  20
ATOM     20  C   LIG    1       -1.500  -1.715  -0.097  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.317  -2.969   0.229  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.621  -3.038  -0.564  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.590  -1.960  -0.141  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1       -5.239  -2.167   1.046  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -5.080  -3.004   1.588  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -6.135  -1.274   1.577  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1       -6.704  -1.479   2.643  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.363  -0.056   0.784  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1       -5.655   0.073  -0.414  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -5.855   1.219  -1.186  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -6.744   2.214  -0.766  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -7.443   2.071   0.433  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -7.255   0.932   1.215  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1       -4.751  -0.903  -0.868  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6