REMARK  Name = BDB044311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.309  -0.287   0.290  0.00  0.00    -0.262 N 
ATOM      2  N   LIG    1       -1.922  -0.927   1.418  0.00  0.00    -0.177 NA
ATOM      3  C   LIG    1       -0.598  -1.049   1.273  0.00  0.00    +0.157 A 
ATOM      4  C   LIG    1       -0.134  -0.500   0.060  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.263  -0.018  -0.556  0.00  0.00    +0.132 A 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        1.131  -0.412  -0.476  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1        1.258   0.038  -1.378  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        2.283  -0.884   0.119  0.00  0.00    +0.269 C 
ATOM      9  O   LIG    1        2.349  -1.453   1.204  0.00  0.00    -0.268 OA
BRANCH   8  10
ATOM     10  C   LIG    1        3.473  -0.626  -0.715  0.00  0.00    +0.151 A 
ATOM     11  C   LIG    1        4.823  -0.965  -0.437  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        5.453  -1.643   0.725  0.00  0.00    +0.040 C 
ATOM     13  C   LIG    1        6.904  -2.057   0.395  0.00  0.00    +0.011 C 
ATOM     14  C   LIG    1        7.722  -0.974  -0.381  0.00  0.00    -0.029 C 
ATOM     15  C   LIG    1        7.008  -0.593  -1.717  0.00  0.00    +0.061 C 
ATOM     16  C   LIG    1        9.114  -1.544  -0.708  0.00  0.00    +0.011 C 
ATOM     17  C   LIG    1        7.912   0.281   0.496  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1        5.542  -0.490  -1.508  0.00  0.00    +0.040 A 
ATOM     19  N   LIG    1        4.645   0.076  -2.357  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        4.819   0.522  -3.252  0.00  0.00    +0.189 HD
ATOM     21  N   LIG    1        3.376   0.011  -1.907  0.00  0.00    -0.169 NA
ENDBRANCH   8  10
ENDBRANCH   4   6
BRANCH   1  22
ATOM     22  C   LIG    1       -3.723   0.043   0.044  0.00  0.00    +0.138 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -3.722   3.763   3.493  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -4.036   3.275   2.109  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1       -3.755   1.951   1.747  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -4.004   1.486   0.444  0.00  0.00    -0.023 A 
ATOM     27  C   LIG    1       -4.548   2.377  -0.495  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -4.819   3.699  -0.144  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.558   4.148   1.149  0.00  0.00    +0.003 A 
ENDBRANCH  22  26
BRANCH  22  30
ATOM     30  C   LIG    1       -4.690  -0.966   0.699  0.00  0.00    +0.047 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -6.149  -0.798   0.252  0.00  0.00    +0.086 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -6.343  -0.880  -1.207  0.00  0.00    -0.308 NA
ATOM     33  C   LIG    1       -6.130  -2.241  -1.709  0.00  0.00    +0.104 C 
ATOM     34  C   LIG    1       -7.698  -0.438  -1.553  0.00  0.00    +0.104 C 
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  22  30
ENDBRANCH   1  22
TORSDOF 7