REMARK  Name = BDB011625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.607  -0.073  -0.402  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        1.569  -1.005  -0.057  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        1.189  -1.903   0.220  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.808   1.002  -0.950  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.927  -0.874  -0.124  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.725   0.388  -0.240  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        3.305   1.525  -0.104  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        5.073   0.008  -0.394  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        5.156  -1.396  -0.141  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        6.167  -2.126  -0.905  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        3.839  -1.859  -0.036  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.562  -3.321   0.135  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        6.129   0.914   0.067  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        7.248   1.083  -0.970  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        8.302   2.082  -0.494  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        8.855   1.706   0.878  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        7.742   1.553   1.911  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        6.683   0.552   1.454  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -2.173   1.498  -0.879  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -1.996   0.144  -0.290  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -2.972  -0.730   0.182  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1       -2.326  -1.882   0.562  0.00  0.00    -0.354 OA
ATOM     23  N   LIG    1       -0.967  -1.766   0.404  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -0.757  -0.540  -0.102  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.401  -0.609   0.274  0.00  0.00    -0.006 C 
ATOM     26  C   LIG    1       -5.327  -1.729  -0.162  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1       -6.774  -1.575   0.315  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -7.285  -0.137   0.153  0.00  0.00    -0.025 C 
ATOM     29  C   LIG    1       -7.372   0.290  -1.325  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -8.408   1.413  -1.363  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -9.253   1.260  -0.100  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -8.754  -0.007   0.585  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -6.372   0.807   0.972  0.00  0.00    +0.034 C 
ATOM     34  C   LIG    1       -4.904   0.521   0.813  0.00  0.00    -0.019 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4