REMARK  Name = BDB001078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.953  -0.382   1.100  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.072  -0.294   0.263  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.958   0.786   0.380  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.718   1.758   1.364  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.619   1.651   2.219  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.738   0.578   2.093  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.540  -2.666   0.924  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.043  -1.543   0.950  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        1.326  -1.318   0.837  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        1.937  -0.025   0.508  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        3.204  -0.165  -0.350  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        4.194  -1.076   0.238  0.00  0.00    -0.298 N 
ATOM     13  C   LIG    1        5.556  -1.070  -0.039  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        6.319  -1.885   0.482  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        3.669  -2.135   1.110  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        2.209  -2.487   0.806  0.00  0.00    +0.127 C 
BRANCH  13  17
ATOM     17  C   LIG    1        6.082   0.019  -0.980  0.00  0.00    +0.075 C 
ATOM     18  C   LIG    1        6.281   1.331  -0.212  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.745   1.303   0.201  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1        8.438   0.728  -1.019  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        7.465  -0.311  -1.573  0.00  0.00    +0.013 C 
ENDBRANCH  13  17
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1       -4.170   0.885  -0.517  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.474   0.361   0.079  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1       -6.680   0.326  -0.792  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -7.860  -0.161  -0.234  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1       -9.035  -0.227  -0.993  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -9.028   0.201  -2.319  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.852   0.694  -2.883  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.862  -0.603   1.170  0.00  0.00    +0.272 A 
ATOM     30  O   LIG    1       -8.877  -1.040   1.700  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.669  -0.488   1.838  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1       -6.643  -0.796   2.805  0.00  0.00    +0.192 HD
ATOM     33  C   LIG    1       -6.678   0.759  -2.124  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1       -5.502  -0.023   1.321  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 4