REMARK  Name = BDB018112
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.857   2.084   1.672  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.126   1.047   0.680  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.195   0.857  -0.343  0.00  0.00    +0.305 C 
ATOM      4  N   LIG    1        1.140   0.778   0.064  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1        1.480  -0.098   1.186  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        2.853   0.235   1.757  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1        3.924   0.211   0.658  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1        3.520   1.154  -0.480  0.00  0.00    +0.030 C 
ATOM      9  C   LIG    1        2.130   0.814  -1.006  0.00  0.00    +0.110 C 
ATOM     10  O   LIG    1       -0.523   0.756  -1.524  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        5.289   0.615   1.214  0.00  0.00    +0.169 C 
ATOM     12  O   LIG    1        5.380   1.313   2.224  0.00  0.00    -0.292 OA
BRANCH  11  13
ATOM     13  C   LIG    1        6.492   0.170   0.523  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1        6.611  -0.616  -0.609  0.00  0.00    +0.119 A 
ATOM     15  N   LIG    1        7.949  -0.742  -0.850  0.00  0.00    -0.274 N 
ATOM     16  C   LIG    1        8.576  -1.470  -1.928  0.00  0.00    +0.172 C 
ATOM     17  N   LIG    1        8.716  -0.099   0.045  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        7.831   0.455   0.877  0.00  0.00    +0.145 A 
ENDBRANCH  11  13
ENDBRANCH   7  11
BRANCH   2  19
ATOM     19  C   LIG    1       -2.540   0.883   0.332  0.00  0.00    +0.116 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.890  -0.546  -0.081  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.386  -0.725  -0.051  0.00  0.00    +0.112 A 
ATOM     22  N   LIG    1       -4.906  -1.219   1.116  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -4.308  -1.480   1.887  0.00  0.00    +0.170 HD
ATOM     24  C   LIG    1       -6.247  -1.431   1.313  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1       -6.685  -1.887   2.362  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -7.119  -1.074   0.182  0.00  0.00    +0.065 A 
ATOM     27  C   LIG    1       -6.505  -0.566  -0.966  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1       -7.309  -0.218  -2.053  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -8.697  -0.377  -1.991  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -9.295  -0.886  -0.838  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.506  -1.237   0.257  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1       -5.114  -0.391  -1.066  0.00  0.00    -0.234 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 5