REMARK  Name = BDB014965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.000   4.724  -1.820  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.877   3.498  -1.877  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.283   2.277  -1.579  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.817   2.113  -1.500  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.463   0.847  -0.806  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.209   0.329  -0.391  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.368  -0.862   0.194  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.692  -1.098   0.188  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.387  -0.108  -0.437  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.847  -0.004  -0.674  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.094   1.056  -1.767  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.069   3.607  -2.167  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.217  -2.318   0.782  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -2.782  -2.520   2.232  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -1.925  -3.676   2.284  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -1.558  -4.002   0.940  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.727  -3.573   0.084  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1       -0.047   0.990  -0.602  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1       -0.072   1.865  -1.117  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.282   0.700  -0.215  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.309   1.546  -0.666  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        1.990   2.597  -1.440  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.650   1.336  -0.345  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        4.007   0.249   0.454  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1        2.998  -0.610   0.912  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        1.653  -0.386   0.579  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.395   0.010   0.805  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        6.436   0.884   1.215  0.00  0.00    +0.169 A 
ATOM     29  N   LIG    1        7.590   0.236   1.431  0.00  0.00    -0.160 NA
ATOM     30  N   LIG    1        7.289  -1.047   1.166  0.00  0.00    -0.273 N 
ATOM     31  C   LIG    1        8.312  -2.058   1.295  0.00  0.00    +0.172 C 
ATOM     32  C   LIG    1        5.992  -1.236   0.788  0.00  0.00    +0.117 A 
BRANCH  28  33
ATOM     33  C   LIG    1        6.377   2.303   1.421  0.00  0.00    +0.122 C 
ATOM     34  N   LIG    1        6.293   3.454   1.565  0.00  0.00    -0.189 NA
ENDBRANCH  28  33
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5