REMARK  Name = BDB012752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.085   0.362   0.894  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.244  -0.254  -0.225  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.117  -0.248   0.291  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.146  -0.758  -0.487  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.915  -1.222  -1.603  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.231   0.671   1.417  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.106   1.401   1.461  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.108   4.161   0.368  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.857   2.695   0.181  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -2.656   2.214   0.577  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -2.414   0.894   0.424  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.358   0.026  -0.127  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -4.600   0.517  -0.555  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -4.837   1.886  -0.381  0.00  0.00    +0.033 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.631  -0.356  -1.152  0.00  0.00    +0.071 A 
ATOM     16  N   LIG    1       -6.917   0.004  -0.906  0.00  0.00    -0.255 NA
ATOM     17  C   LIG    1       -7.901  -0.763  -1.427  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -7.674  -1.887  -2.199  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -6.358  -2.245  -2.457  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.324  -1.473  -1.930  0.00  0.00    +0.028 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.482  -0.725   0.050  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        3.836  -0.949   1.350  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        3.228  -1.181   2.126  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        5.154  -0.858   1.588  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        5.686  -0.643   0.379  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        4.683  -0.570  -0.615  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        7.171  -0.512   0.190  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        7.736   0.691   0.949  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        7.909  -1.793   0.584  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4