REMARK  Name = BDB014444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.675  -0.236   0.361  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.532   0.525   0.527  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.619   1.504   0.776  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.654  -1.463   0.347  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.941   0.608   0.186  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        4.090  -0.218   0.124  0.00  0.00    -0.481 OA
BRANCH   6   8
ATOM      7  C   LIG    1        6.414  -0.493  -0.265  0.00  0.00    +0.071 A 
ATOM      8  C   LIG    1        5.306   0.374  -0.107  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1        5.497   1.761  -0.183  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        6.768   2.293  -0.416  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        7.860   1.448  -0.573  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        7.682   0.068  -0.496  0.00  0.00    +0.027 A 
BRANCH   7  14
ATOM     13  C   LIG    1        5.541  -2.477  -1.284  0.00  0.00    +0.129 C 
ATOM     14  N   LIG    1        6.360  -1.910  -0.209  0.00  0.00    -0.333 N 
ATOM     15  C   LIG    1        5.994  -2.393   1.125  0.00  0.00    +0.129 C 
ENDBRANCH   7  14
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  16
ATOM     16  C   LIG    1       -0.751  -0.101   0.815  0.00  0.00    +0.136 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.876   0.944   0.798  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.526   2.005   1.711  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -1.511   1.624   2.607  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -3.248   0.355   1.196  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.687  -0.797   0.394  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.056  -0.438  -0.990  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.398   0.248  -1.135  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -6.401   0.086  -0.162  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -7.648   0.699  -0.339  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.907   1.450  -1.484  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.923   1.597  -2.459  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.116  -0.691   1.100  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.676   0.996  -2.288  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.819  -1.510   1.016  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 9