REMARK  Name = BDB004948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.847  -1.208   0.133  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.828  -1.429  -1.373  0.00  0.00    -0.047 C 
ATOM      3  C   LIG    1       -0.682  -0.251  -2.321  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -0.072  -0.612  -3.690  0.00  0.00    +0.034 C 
ATOM      5  C   LIG    1       -0.413  -1.996  -4.168  0.00  0.00    +0.006 C 
ATOM      6  C   LIG    1       -0.806  -2.946  -3.300  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1       -0.880  -2.683  -1.876  0.00  0.00    +0.033 C 
BRANCH   6   8
ATOM      8  N   LIG    1       -1.093  -4.291  -3.827  0.00  0.00    +0.056 N 
ATOM      9  O   LIG    1       -1.404  -5.167  -3.006  0.00  0.00    -0.126 OA
ATOM     10  O   LIG    1       -1.014  -4.478  -5.050  0.00  0.00    -0.126 OA
ENDBRANCH   6   8
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  N   LIG    1        0.151  -0.201   0.517  0.00  0.00    -0.322 N 
ATOM     12  H   LIG    1       -0.035   0.156   1.452  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        1.511  -0.595   0.503  0.00  0.00    +0.130 A 
ATOM     14  C   LIG    1        2.503   0.363   0.800  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        3.838  -0.086   0.795  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1        4.843   0.856   1.101  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1        4.527   2.198   1.391  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        3.212   2.633   1.375  0.00  0.00    +0.002 A 
ATOM     19  N   LIG    1        4.122  -1.375   0.503  0.00  0.00    -0.235 NA
ATOM     20  C   LIG    1        3.104  -2.193   0.215  0.00  0.00    +0.223 A 
ATOM     21  C   LIG    1        2.208   1.722   1.079  0.00  0.00    +0.013 A 
ATOM     22  N   LIG    1        1.814  -1.866   0.203  0.00  0.00    -0.220 NA
BRANCH  16  23
ATOM     23  C   LIG    1        6.301   0.518   1.141  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        7.146   1.356   1.439  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1        6.684  -0.754   0.837  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        5.996  -1.465   0.604  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        7.664  -0.995   0.872  0.00  0.00    +0.145 HD
ENDBRANCH  16  23
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   1  28
ATOM     28  C   LIG    1       -2.230  -0.821   0.708  0.00  0.00    +0.042 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.823   0.495   0.189  0.00  0.00    +0.086 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -4.088   0.872   0.844  0.00  0.00    -0.302 NA
ATOM     31  C   LIG    1       -4.735   1.972   0.124  0.00  0.00    +0.105 C 
BRANCH  30  32
ATOM     32  C   LIG    1       -4.001   1.157   2.281  0.00  0.00    +0.110 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -3.469   3.408   3.273  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1       -3.076   2.277   2.671  0.00  0.00    -0.019 C 
ENDBRANCH  32  34
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 10