REMARK  Name = BDB014233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.251  -1.641   0.301  0.00  0.00    +0.023 A 
ATOM      2  N   LIG    1        0.989  -0.479   0.314  0.00  0.00    -0.356 N 
ATOM      3  H   LIG    1        0.675   0.419   0.666  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        2.222  -0.683  -0.259  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        2.273  -2.018  -0.641  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        3.350  -2.578  -1.242  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.386  -1.740  -1.453  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        4.421  -0.399  -1.109  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        3.307   0.168  -0.488  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        1.040  -2.614  -0.287  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.327   1.594  -0.116  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1        4.250   2.362  -0.312  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        2.194   2.002   0.487  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        2.359   2.955   0.658  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1       -1.134  -1.726   0.863  0.00  0.00    +0.088 C 
BRANCH  15  19
ATOM     16  C   LIG    1       -3.669   1.415  -2.164  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -3.147   1.066  -0.802  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1       -2.417  -0.114  -0.605  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -1.948  -0.467   0.671  0.00  0.00    -0.041 A 
ATOM     20  C   LIG    1       -2.227   0.376   1.755  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.967   1.543   1.568  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.429   1.884   0.297  0.00  0.00    +0.003 A 
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 4