REMARK  Name = BDB036215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.333  -1.424  -0.520  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -1.557  -2.221  -0.274  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -2.293  -1.909   1.053  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.568  -0.465   1.202  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -1.359   0.370   0.999  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.655   0.013  -0.334  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.778   0.074   0.762  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.703  -0.592  -0.053  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -5.894  -0.097  -0.482  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -6.205   1.157  -0.060  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -5.388   1.911   0.764  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.175   1.355   1.175  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.519   1.711  -0.524  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -8.221   0.872  -1.364  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -7.823  -0.054  -1.497  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -9.554   1.167  -1.810  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -7.914   2.814  -0.164  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        0.779  -1.872   0.339  0.00  0.00    +0.120 C 
BRANCH  18  28
ATOM     19  C   LIG    1        6.577   0.948  -0.655  0.00  0.00    +0.106 A 
ATOM     20  C   LIG    1        6.299   1.067   0.838  0.00  0.00    +0.271 A 
ATOM     21  O   LIG    1        7.081   1.642   1.581  0.00  0.00    -0.266 OA
ATOM     22  N   LIG    1        5.132   0.497   1.276  0.00  0.00    -0.319 N 
ATOM     23  H   LIG    1        4.947   0.594   2.261  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1        4.235  -0.145   0.407  0.00  0.00    +0.071 A 
ATOM     25  C   LIG    1        4.572  -0.185  -0.962  0.00  0.00    +0.088 A 
ATOM     26  C   LIG    1        3.697  -0.786  -1.859  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        2.491  -1.322  -1.415  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        2.128  -1.277  -0.054  0.00  0.00    -0.028 A 
ATOM     29  C   LIG    1        3.033  -0.721   0.886  0.00  0.00    -0.021 A 
ATOM     30  C   LIG    1        2.690  -0.719   2.355  0.00  0.00    +0.046 C 
ATOM     31  N   LIG    1        5.763   0.357  -1.478  0.00  0.00    -0.245 NA
BRANCH  19  33
ATOM     32  C   LIG    1        9.017   0.552  -0.945  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1        7.875   1.527  -1.163  0.00  0.00    +0.057 C 
ENDBRANCH  19  33
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 5