REMARK  Name = BDB049294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.787   1.086  -0.882  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.524   0.789  -0.475  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -1.589   1.543  -1.006  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -1.260   2.553  -1.902  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -2.416   3.170  -2.288  0.00  0.00    -0.345 N 
ATOM      6  H   LIG    1       -2.447   3.939  -2.941  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1       -3.488   2.584  -1.664  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1       -0.036   2.897  -2.340  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -3.011   1.563  -0.860  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        0.946   2.132  -1.799  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.159  -1.123   0.639  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        3.232  -0.544   1.512  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        2.135   0.172   1.017  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        1.938   0.333  -0.362  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        2.877  -0.249  -1.228  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        3.975  -0.967  -0.734  0.00  0.00    +0.024 A 
BRANCH  11  21
ATOM     17  N   LIG    1        7.136  -3.034   1.429  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1        7.887  -3.505   0.938  0.00  0.00    +0.146 HD
ATOM     19  H   LIG    1        7.464  -2.381   2.126  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1        6.191  -2.562   0.563  0.00  0.00    +0.301 C 
ATOM     21  N   LIG    1        5.240  -1.820   1.211  0.00  0.00    -0.270 N 
ATOM     22  H   LIG    1        5.253  -1.898   2.216  0.00  0.00    +0.156 HD
ATOM     23  O   LIG    1        6.270  -2.833  -0.625  0.00  0.00    -0.253 OA
ENDBRANCH  11  21
ENDBRANCH   1  14
BRANCH   9  24
ATOM     24  C   LIG    1       -3.879   0.709  -0.067  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -3.741  -0.685  -0.127  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.570  -1.513   0.635  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.536  -0.943   1.458  0.00  0.00    +0.117 A 
ATOM     28  C   LIG    1       -5.686   0.437   1.530  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -4.859   1.264   0.766  0.00  0.00    +0.012 A 
BRANCH  27  30
ATOM     30  O   LIG    1       -6.365  -1.712   2.219  0.00  0.00    -0.507 OA
ATOM     31  H   LIG    1       -6.155  -2.647   2.057  0.00  0.00    +0.292 HD
ENDBRANCH  27  30
ENDBRANCH   9  24
TORSDOF 4