REMARK  Name = BDB003987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.088  -3.944  -1.232  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -3.490  -2.674  -0.703  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -2.643  -1.577  -0.502  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -3.417  -0.514  -0.035  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -2.855   0.714   0.239  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -1.476   0.853   0.035  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.679  -0.220  -0.439  0.00  0.00    -0.042 A 
ATOM      8  N   LIG    1       -4.745  -0.960   0.064  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -1.283  -1.461  -0.710  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -4.808  -2.300  -0.383  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1       -5.814  -2.987  -0.472  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -5.898  -0.159   0.440  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -6.665   0.200  -0.848  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -6.101   0.370  -1.933  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -8.002   0.502  -0.783  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -8.185   0.945  -1.679  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -8.490   1.293   0.220  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.716   2.486   0.050  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -8.825   0.573   1.504  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -7.612   0.118   2.293  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -6.730  -0.860   1.520  0.00  0.00    +0.035 C 
ENDBRANCH   8  12
BRANCH   7  22
ATOM     22  C   LIG    1        0.816  -0.056  -0.659  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1        1.155   1.087  -1.624  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1        2.665   1.145  -1.898  0.00  0.00    +0.085 C 
ATOM     25  N   LIG    1        3.490   0.654  -0.783  0.00  0.00    -0.292 NA
ATOM     26  C   LIG    1        2.867   0.938   0.511  0.00  0.00    +0.085 C 
ATOM     27  C   LIG    1        1.582   0.115   0.668  0.00  0.00    +0.023 C 
BRANCH  25  28
ATOM     28  C   LIG    1        4.869   1.177  -0.883  0.00  0.00    +0.205 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.866   0.415  -0.004  0.00  0.00    +0.322 C 
ATOM     30  O   LIG    1        5.646  -0.606   0.631  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.067   1.067  -0.054  0.00  0.00    -0.458 OA
BRANCH  31  32
ATOM     32  C   LIG    1        8.214   0.566   0.680  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1        9.341   1.563   0.367  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        7.957   0.578   2.191  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1        8.634  -0.820   0.180  0.00  0.00    +0.055 C 
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH   7  22
TORSDOF 6