REMARK  Name = BDB048340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.105   1.755  -2.049  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.223   2.510  -0.783  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        1.601   3.913  -1.004  0.00  0.00    +0.130 C 
BRANCH   2   6
ATOM      4  C   LIG    1        4.253   0.951   0.419  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        3.347   1.478  -0.427  0.00  0.00    -0.212 NA
ATOM      6  C   LIG    1        2.193   1.939   0.090  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1        1.927   1.889   1.454  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        0.641   2.348   2.060  0.00  0.00    +0.049 C 
ATOM      9  C   LIG    1        2.915   1.321   2.231  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        4.080   0.855   1.749  0.00  0.00    -0.235 NA
BRANCH   4  14
ATOM     11  C   LIG    1        8.756  -1.245   1.011  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        7.725  -0.612   0.124  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        6.516  -0.133   0.657  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.519   0.446  -0.154  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        5.780   0.519  -1.536  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        6.974   0.036  -2.081  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        7.940  -0.530  -1.254  0.00  0.00    +0.003 A 
ENDBRANCH   4  14
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.434   0.395  -1.853  0.00  0.00    +0.060 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.004   0.524  -1.360  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.560  -0.791  -1.288  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.842  -0.901  -0.821  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -3.313  -2.215  -0.732  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -4.599  -2.438  -0.266  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -5.306  -3.751  -0.134  0.00  0.00    +0.036 C 
ATOM     25  C   LIG    1       -6.461  -3.371   0.805  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -6.782  -1.888   0.517  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1       -5.429  -1.375   0.103  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -4.981  -0.068   0.004  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -3.678   0.166  -0.453  0.00  0.00    +0.046 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -7.492  -1.153   1.649  0.00  0.00    +0.128 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -6.692  -1.034   2.917  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1       -6.506  -1.912   3.743  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -6.175   0.196   3.098  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -5.664   0.114   3.931  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10