REMARK  Name = BDB027060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.900  -0.636   1.008  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.708   0.273  -0.198  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.345   1.522  -0.265  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.167   2.352  -1.375  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.344   1.950  -2.425  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        0.304   0.718  -2.368  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        0.122  -0.115  -1.264  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.418  -0.993   1.595  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.321  -1.872   2.107  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        0.972   0.057   2.447  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.452  -0.209   2.767  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        4.979   0.404  -0.689  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.443  -0.860  -0.422  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.643  -1.061   0.704  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.360  -0.001   1.576  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.886   1.268   1.296  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.690   1.472   0.170  0.00  0.00    +0.013 A 
BRANCH  12  21
ATOM     18  N   LIG    1        6.706   1.616  -1.915  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        6.991   2.079  -1.064  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        7.359   1.623  -2.688  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        5.820   0.573  -1.903  0.00  0.00    +0.242 C 
ATOM     22  O   LIG    1        5.761  -0.205  -2.847  0.00  0.00    -0.270 OA
ENDBRANCH  12  21
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  23
ATOM     23  C   LIG    1       -1.656  -1.946   0.636  0.00  0.00    +0.186 C 
ATOM     24  O   LIG    1       -1.193  -3.053   0.935  0.00  0.00    -0.290 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -2.949  -1.860  -0.050  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1       -4.061  -0.979   0.165  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -5.034  -1.302  -0.786  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -6.258  -0.631  -0.887  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1       -6.514   0.396   0.024  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -5.583   0.729   1.002  0.00  0.00    +0.001 A 
ATOM     31  N   LIG    1       -4.549  -2.355  -1.527  0.00  0.00    -0.360 N 
ATOM     32  H   LIG    1       -5.048  -2.803  -2.283  0.00  0.00    +0.165 HD
ATOM     33  C   LIG    1       -4.362   0.048   1.087  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1       -3.314  -2.719  -1.073  0.00  0.00    +0.095 A 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 8