REMARK  Name = BDB014952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.291  -4.763   0.123  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.056  -3.542  -0.326  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.343  -2.355  -0.447  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.866  -2.320  -0.439  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.370  -0.938  -0.208  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.058  -0.437  -0.005  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.085   0.890   0.155  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.382   1.239   0.079  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.188   0.171  -0.168  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.660   0.141  -0.341  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.047  -1.188  -1.020  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.263  -3.623  -0.556  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.767   2.620   0.231  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -2.144   3.342   1.414  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -2.221   4.748   1.111  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -2.468   4.892  -0.296  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.358   3.516  -0.919  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.027  -1.247   0.006  0.00  0.00    -0.297 N 
ATOM     19  H   LIG    1       -0.115  -2.241  -0.143  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.408  -0.988   0.196  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1        2.330  -2.054   0.140  0.00  0.00    +0.063 A 
ATOM     22 CL   LIG    1        1.777  -3.672  -0.159  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        3.704  -1.855   0.320  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        4.204  -0.572   0.560  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1        3.300   0.494   0.620  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        1.925   0.288   0.440  0.00  0.00    +0.025 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.630  -0.366   0.750  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.314   0.798   0.463  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        7.623   0.562   0.770  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        8.726   1.483   0.640  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        7.849  -0.679   1.235  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.638  -1.242   1.221  0.00  0.00    +0.142 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4