REMARK  Name = BDB044600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.074   0.493   1.452  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1        0.946   1.665   0.673  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.000   2.584   0.680  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        3.138   2.365   1.466  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        3.235   1.231   2.266  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.201   0.298   2.268  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        0.264  -1.875   1.467  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1       -0.538  -2.420   1.765  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -0.007  -0.526   1.459  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -1.177  -0.142   1.511  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        2.464  -4.775   0.839  0.00  0.00    +0.061 A 
ATOM     12  C   LIG    1        1.422  -3.964   1.312  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        1.354  -2.610   0.962  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        2.316  -2.088   0.093  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        3.357  -2.893  -0.382  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        3.436  -4.233  -0.006  0.00  0.00    +0.015 A 
BRANCH  11  18
ATOM     17  O   LIG    1        1.679  -6.734   1.991  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1        2.490  -6.196   1.260  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.530  -6.875   0.748  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        3.420  -7.782   1.103  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  11  18
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  N   LIG    1       -0.250   1.883  -0.058  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -0.987   1.204   0.130  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1       -0.522   2.888  -0.964  0.00  0.00    +0.248 C 
ATOM     24  O   LIG    1        0.278   3.705  -1.404  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -1.925   2.924  -1.475  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -3.011   2.505  -0.693  0.00  0.00    +0.062 A 
ATOM     27  C   LIG    1       -4.270   2.585  -1.253  0.00  0.00    +0.167 A 
ATOM     28  O   LIG    1       -5.431   2.225  -0.642  0.00  0.00    -0.453 OA
ATOM     29  C   LIG    1       -6.390   2.528  -1.678  0.00  0.00    +0.466 C 
ATOM     30  O   LIG    1       -5.788   3.058  -2.877  0.00  0.00    -0.453 OA
ATOM     31  C   LIG    1       -4.475   3.063  -2.526  0.00  0.00    +0.166 A 
ATOM     32  C   LIG    1       -3.433   3.495  -3.316  0.00  0.00    +0.050 A 
ATOM     33  C   LIG    1       -2.143   3.428  -2.779  0.00  0.00    +0.017 A 
ENDBRANCH  23  25
ENDBRANCH   2  21
TORSDOF 6