REMARK  Name = BDB051275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.617  -0.189   1.154  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.680  -1.207   0.968  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.661  -0.877   0.751  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -1.083   0.465   0.736  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -0.128   1.472   0.948  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        1.216   1.149   1.163  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.496   0.792   0.510  0.00  0.00    +0.095 A 
ATOM      8  N   LIG    1       -3.356  -0.123   0.024  0.00  0.00    -0.164 NA
ATOM      9  N   LIG    1       -4.536   0.521  -0.051  0.00  0.00    -0.215 N 
ATOM     10  C   LIG    1       -4.461   1.822   0.375  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -5.564   2.645   0.377  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -5.509   3.605   0.693  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1       -6.792   2.181  -0.056  0.00  0.00    +0.259 A 
ATOM     14  C   LIG    1       -6.868   0.762  -0.519  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -8.084   0.236  -0.967  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -8.149  -1.092  -1.399  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -7.006  -1.897  -1.385  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.787  -1.383  -0.940  0.00  0.00    +0.028 A 
ATOM     19  O   LIG    1       -7.781   2.905  -0.060  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -5.729  -0.056  -0.510  0.00  0.00    +0.080 A 
ATOM     21  C   LIG    1       -3.160   2.034   0.745  0.00  0.00    +0.076 A 
ENDBRANCH   4   7
BRANCH   1  23
ATOM     22  N   LIG    1        3.781  -1.129   0.405  0.00  0.00    -0.299 N 
ATOM     23  C   LIG    1        3.037  -0.508   1.407  0.00  0.00    +0.246 C 
ATOM     24  O   LIG    1        3.493  -0.200   2.505  0.00  0.00    -0.270 OA
ATOM     25  C   LIG    1        3.259  -1.503  -0.903  0.00  0.00    +0.132 C 
BRANCH  22  26
ATOM     26  C   LIG    1        5.128  -1.590   0.745  0.00  0.00    +0.123 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.188  -0.477   0.943  0.00  0.00    +0.102 C 
BRANCH  27  29
ATOM     28  C   LIG    1        5.654   1.297  -0.655  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1        6.639   0.321  -0.211  0.00  0.00    -0.307 NA
ATOM     30  C   LIG    1        7.147  -0.484  -1.313  0.00  0.00    +0.104 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 5