REMARK  Name = BDB012747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.730   0.257   0.717  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.154   0.383  -0.522  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.514   0.369   0.003  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.586   0.475  -0.871  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.402   0.595  -2.081  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.533  -0.173   1.357  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.111  -0.666   1.606  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.579  -3.444  -0.685  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.470  -2.005  -0.277  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -2.238  -1.540   0.030  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -2.113  -0.247   0.407  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.206   0.612   0.479  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.477   0.129   0.158  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -4.606  -1.206  -0.225  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.632   1.007   0.232  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.757   0.914  -0.563  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -7.582   1.933  -0.183  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -8.878   2.252  -0.729  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -7.077   2.690   0.807  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1       -5.891   2.127   1.056  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.915   0.440  -0.314  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        4.316   1.026   0.852  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        3.757   1.580   1.490  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        5.611   0.840   1.148  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        6.092   0.174   0.090  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        5.073  -0.082  -0.858  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        7.546  -0.196   0.024  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        8.244   0.474  -1.161  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        7.739  -1.713  -0.027  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4