REMARK  Name = BDB054123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.635   0.941  -0.709  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.454   1.778  -0.847  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.332   2.726  -0.511  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.774  -0.084  -1.375  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.415   1.566  -1.914  0.00  0.00    +0.092 C 
ATOM      6  C   LIG    1        2.110   0.194  -1.882  0.00  0.00    +0.130 C 
ATOM      7  N   LIG    1        3.414   0.426  -2.486  0.00  0.00    -0.299 N 
ATOM      8  C   LIG    1        4.354  -0.519  -2.829  0.00  0.00    +0.220 C 
ATOM      9  O   LIG    1        5.433  -0.198  -3.331  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.663   1.842  -2.671  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        2.599   2.529  -1.826  0.00  0.00    +0.043 C 
BRANCH   8  12
ATOM     12  C   LIG    1        4.024  -1.982  -2.566  0.00  0.00    +0.131 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.329  -2.416  -1.151  0.00  0.00    -0.039 A 
ATOM     14  C   LIG    1        5.644  -2.382  -0.668  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.933  -2.788   0.635  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.911  -3.236   1.468  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.600  -3.277   1.000  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        3.308  -2.875  -0.304  0.00  0.00    +0.004 A 
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -1.620   1.342   0.412  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.014   1.062   1.807  0.00  0.00    +0.018 C 
ATOM     21  C   LIG    1       -1.883   1.684   2.923  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -1.709   1.014   4.287  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -0.318   0.425   4.462  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -0.010  -0.638   3.404  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -0.759  -0.429   2.086  0.00  0.00    +0.006 C 
ENDBRANCH  19  20
BRANCH  19  27
ATOM     26  C   LIG    1       -3.872   1.196  -0.573  0.00  0.00    +0.230 C 
ATOM     27  N   LIG    1       -2.867   0.620   0.185  0.00  0.00    -0.302 N 
ATOM     28  H   LIG    1       -2.774  -0.387   0.089  0.00  0.00    +0.150 HD
ATOM     29  O   LIG    1       -3.857   2.376  -0.915  0.00  0.00    -0.274 OA
BRANCH  26  30
ATOM     30  C   LIG    1       -4.988   0.213  -0.998  0.00  0.00    +0.137 C 
ATOM     31  C   LIG    1       -4.624  -0.329  -2.380  0.00  0.00    +0.034 C 
BRANCH  30  33
ATOM     32  C   LIG    1       -7.406   0.123  -1.386  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1       -6.279   0.921  -0.939  0.00  0.00    -0.309 NA
ATOM     34  H   LIG    1       -6.205   1.778  -1.492  0.00  0.00    +0.122 HD
ENDBRANCH  30  33
ENDBRANCH  26  30
ENDBRANCH  19  27
ENDBRANCH   1  19
TORSDOF 8