REMARK  Name = BDB012840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.314  -1.026  -1.177  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.197  -0.736  -1.204  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -0.392   0.293  -2.221  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.460   1.165  -2.349  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -1.361   2.171  -3.053  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.863   0.601  -2.881  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        1.763  -0.587  -2.575  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        1.707   2.915   1.697  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        2.271   1.595   1.263  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        1.588   0.913   0.316  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        2.065  -0.284  -0.089  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        3.241  -0.823   0.428  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        3.948  -0.115   1.403  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        3.446   1.116   1.827  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.174  -0.663   1.959  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        6.229   0.078   2.449  0.00  0.00    +0.113 A 
ATOM     17  N   LIG    1        7.176  -0.820   2.854  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        8.086  -0.632   3.263  0.00  0.00    +0.188 HD
ATOM     19  N   LIG    1        6.817  -2.098   2.661  0.00  0.00    -0.182 NA
ATOM     20  C   LIG    1        5.601  -2.002   2.118  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1       -2.698   0.896  -1.657  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1       -3.635   1.887  -1.518  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1       -3.559   2.839  -1.860  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1       -4.742   1.519  -0.853  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1       -4.538   0.225  -0.583  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1       -3.283  -0.211  -1.074  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1       -5.569  -0.590   0.145  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1       -6.881  -0.678  -0.636  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1       -5.816  -0.061   1.559  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4