REMARK  Name = BDB039575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.025  -1.164  -0.955  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.728  -2.577  -1.255  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.804  -2.782  -1.311  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.444  -2.018  -2.394  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.682  -0.817  -2.770  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.149  -0.176  -1.632  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.944   0.078  -0.257  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        3.936   0.773   0.336  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        2.664   0.337   0.111  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        1.603   1.107   0.848  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        2.341  -0.765  -0.717  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        3.430  -1.446  -1.285  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.741  -1.029  -1.062  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        7.644   2.325   1.145  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        6.404   1.669   0.831  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        5.515   2.050   1.160  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        6.336   0.574  -0.005  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.314   0.040  -0.518  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -2.889  -1.836  -2.246  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.353  -0.852  -1.188  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.592  -1.279   0.132  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.011  -0.365   1.099  0.00  0.00    +0.052 A 
ATOM     23  N   LIG    1       -4.233  -0.810   2.428  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1       -4.091  -1.781   2.674  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.656   0.020   3.461  0.00  0.00    +0.294 A 
ATOM     26  C   LIG    1       -4.841   1.381   3.051  0.00  0.00    +0.220 A 
ATOM     27  C   LIG    1       -4.642   1.882   1.792  0.00  0.00    +0.124 A 
ATOM     28  N   LIG    1       -4.908   3.221   1.757  0.00  0.00    -0.215 NA
ATOM     29  C   LIG    1       -5.264   3.474   3.003  0.00  0.00    +0.309 A 
ATOM     30  O   LIG    1       -5.248   2.403   3.856  0.00  0.00    -0.437 OA
ATOM     31  O   LIG    1       -4.840  -0.423   4.592  0.00  0.00    -0.264 OA
ATOM     32  C   LIG    1       -4.210   0.990   0.750  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1       -3.993   1.419  -0.556  0.00  0.00    +0.012 A 
ATOM     34  C   LIG    1       -3.569   0.499  -1.519  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4