REMARK  Name = BDB047663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.647   0.009   0.680  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        2.511   0.137  -0.140  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        1.218   0.102   0.429  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        1.106  -0.061   1.809  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -0.236  -0.061   2.113  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -0.610  -0.165   3.045  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -0.997   0.092   0.981  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -2.386   0.146   0.812  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -3.496   0.088   1.824  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -4.700  -0.229   0.927  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -4.402   0.385  -0.449  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.910   0.319  -0.477  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -2.053   0.441  -1.541  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -2.340   0.648  -2.965  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -3.436   0.756  -3.476  0.00  0.00    -0.270 OA
ATOM     16  N   LIG    1       -1.125   0.697  -3.612  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -1.070   0.839  -4.611  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -0.003   0.543  -2.720  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1       -0.660   0.381  -1.382  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1        2.215  -0.193   2.650  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -0.108   0.202  -0.099  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        3.483  -0.156   2.061  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  23
ATOM     23  C   LIG    1        5.030   0.048   0.080  0.00  0.00    +0.113 C 
BRANCH  23  24
ATOM     24  N   LIG    1        5.712  -1.232   0.229  0.00  0.00    -0.326 NA
ATOM     25  H   LIG    1        5.140  -1.960  -0.196  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1        6.586  -1.208  -0.291  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 2