REMARK  Name = BDB011652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.233   2.659   0.792  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.848   1.474   0.441  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.246   0.728   0.103  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.812   3.735   0.900  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.177   1.222   0.245  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.577  -0.025  -0.472  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        1.776  -0.893  -0.791  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        3.961   0.002  -0.628  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        4.455   1.120   0.111  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        5.573   1.836  -0.508  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        3.330   1.823   0.581  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.524   3.037   1.431  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        4.727  -1.242  -0.698  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        5.468  -1.578   0.604  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        6.129  -2.957   0.545  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        6.623  -3.344  -0.851  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        6.908  -2.126  -1.718  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.652  -1.278  -1.928  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -1.526   0.143   2.026  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -1.995   1.439   1.480  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.304   1.872   1.376  0.00  0.00    +0.169 A 
ATOM     22  O   LIG    1       -3.317   3.134   0.877  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1       -2.032   3.553   0.628  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.225   2.535   0.966  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.620   1.252   1.715  0.00  0.00    +0.187 C 
ATOM     26  O   LIG    1       -4.700  -0.033   1.081  0.00  0.00    -0.365 OA
ATOM     27  C   LIG    1       -4.934   0.001  -0.339  0.00  0.00    +0.125 C 
ATOM     28  C   LIG    1       -6.254   0.728  -0.625  0.00  0.00    +0.032 C 
ATOM     29  C   LIG    1       -6.223   2.138  -0.047  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -5.861   2.099   1.433  0.00  0.00    +0.040 C 
BRANCH  27  31
ATOM     31  C   LIG    1       -4.868  -1.463  -0.885  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -3.480  -2.059  -0.562  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -5.054  -1.488  -2.413  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -5.933  -2.368  -0.237  0.00  0.00    +0.013 C 
ENDBRANCH  27  31
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5