REMARK  Name = BDB039420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.931  -1.312   0.975  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -1.700  -0.801  -0.095  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -3.057  -0.582   0.079  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -4.066  -0.049  -0.884  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -5.297  -0.090  -0.101  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -5.081  -0.516   1.200  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -5.883  -0.571   2.112  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.659  -0.860   1.301  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -2.955  -1.348   2.382  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.584  -1.571   2.210  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        3.265  -3.989   1.895  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1        2.557  -2.848   1.246  0.00  0.00    -0.002 A 
ATOM     13  C   LIG    1        3.156  -1.907   0.422  0.00  0.00    +0.177 A 
ATOM     14  C   LIG    1        2.469  -0.864  -0.172  0.00  0.00    +0.200 A 
ATOM     15  N   LIG    1        3.315  -0.108  -0.931  0.00  0.00    -0.192 NA
ATOM     16  C   LIG    1        4.484  -0.702  -0.765  0.00  0.00    +0.212 A 
ATOM     17  N   LIG    1        1.145  -0.656  -0.012  0.00  0.00    -0.225 NA
ATOM     18  C   LIG    1        0.522  -1.549   0.798  0.00  0.00    +0.074 A 
ATOM     19  O   LIG    1        4.462  -1.817   0.040  0.00  0.00    -0.436 OA
ATOM     20  C   LIG    1        1.179  -2.630   1.417  0.00  0.00    +0.035 A 
BRANCH  16  21
ATOM     21  C   LIG    1        5.814  -0.315  -1.337  0.00  0.00    +0.180 C 
BRANCH  21  22
ATOM     22  N   LIG    1        6.630   0.489  -0.412  0.00  0.00    -0.294 NA
ATOM     23  C   LIG    1        6.046   1.806  -0.137  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1        7.213   2.587   0.451  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1        8.466   1.885  -0.060  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1        7.954   0.775  -0.965  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH   1  18
BRANCH   5  27
ATOM     27  C   LIG    1       -6.553   0.522  -0.524  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1       -6.905   0.313  -2.006  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1       -6.431  -0.573  -2.713  0.00  0.00    -0.273 OA
ATOM     30  N   LIG    1       -7.849   1.172  -2.522  0.00  0.00    -0.255 N 
ATOM     31  H   LIG    1       -8.079   1.032  -3.497  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1       -8.297   2.347  -1.974  0.00  0.00    +0.219 C 
ATOM     33  O   LIG    1       -8.991   3.123  -2.625  0.00  0.00    -0.275 OA
ATOM     34  C   LIG    1       -7.925   2.606  -0.535  0.00  0.00    +0.098 C 
ATOM     35  C   LIG    1       -6.563   2.018  -0.204  0.00  0.00    +0.041 C 
ENDBRANCH   5  27
TORSDOF 4