REMARK  Name = BDB019532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.792   0.606  -0.504  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        3.742   0.107   0.258  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        2.649  -0.839  -0.047  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        1.891  -0.985   1.100  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        2.356  -0.160   2.192  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        2.442  -1.381  -1.116  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        3.551   0.506   1.595  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        4.399   1.412   2.212  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        5.456   1.927   1.470  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.647   1.531   0.135  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.452  -0.700  -2.576  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        3.619  -1.160  -2.213  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        4.660  -0.838  -3.555  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.126   0.281  -1.920  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        6.018   0.888  -2.506  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1        0.695  -1.804   1.198  0.00  0.00    +0.110 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.600  -1.008   1.054  0.00  0.00    +0.038 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.796  -0.460  -0.363  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.091   0.224  -0.499  0.00  0.00    -0.330 N 
ATOM     20  C   LIG    1       -3.293  -0.479  -0.613  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -4.536   0.189  -0.522  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -5.750  -0.517  -0.624  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.755  -1.887  -0.854  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.548  -2.559  -0.984  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.603   1.675  -0.275  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -3.299   2.357  -0.648  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -3.339  -1.861  -0.869  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -2.149   1.603  -0.006  0.00  0.00    +0.105 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5