REMARK  Name = BDB027538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.754   2.937   0.342  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.443   2.507   0.303  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.047   1.186  -0.069  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.578   1.274   0.072  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.833   2.746  -0.264  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.651   3.458   0.377  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        2.080   4.113   0.475  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.902   0.072  -0.133  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        4.744   1.128  -1.043  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.714   2.059  -0.886  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.825   1.932   0.183  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.990   0.904   1.113  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.021  -0.027   0.948  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.291  -1.947   0.367  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        5.966  -0.825  -0.368  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        6.542  -0.615  -1.172  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        5.707  -2.384   1.350  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        7.958  -3.759   0.387  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.497  -2.637  -0.180  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.249   0.372  -0.852  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.792  -0.521  -1.011  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.557   0.046  -0.524  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -3.933  -1.196  -0.857  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -5.188  -1.573  -0.579  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -6.100  -0.721   0.050  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -7.416  -1.137   0.333  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -7.821  -2.422  -0.016  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -6.916  -3.274  -0.642  0.00  0.00    +0.043 A 
ATOM     29 CL   LIG    1       -7.406  -4.864  -1.078  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -5.606   0.534   0.360  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.615  -2.850  -0.918  0.00  0.00    +0.048 A 
ATOM     32  N   LIG    1       -4.350   0.931   0.090  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5