REMARK  Name = BDB063174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.508   2.700   0.810  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -2.878   1.374   0.467  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -4.189   0.984   0.770  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -4.305  -0.350   0.472  0.00  0.00    -0.354 N 
ATOM      5  H   LIG    1       -5.139  -0.897   0.627  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1       -3.122  -0.853   0.001  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -2.783  -2.168  -0.348  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1       -3.606  -3.427  -0.314  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -2.510  -4.500  -0.387  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1       -1.344  -3.885  -1.175  0.00  0.00    +0.036 C 
ATOM     11  C   LIG    1       -1.504  -2.438  -0.845  0.00  0.00    -0.029 A 
ATOM     12  C   LIG    1       -0.631  -1.398  -1.025  0.00  0.00    +0.056 A 
ATOM     13  C   LIG    1        0.716  -1.388  -1.587  0.00  0.00    +0.263 A 
ATOM     14  O   LIG    1        1.270  -2.371  -2.041  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1        1.144  -0.095  -1.535  0.00  0.00    -0.261 N 
ATOM     16  C   LIG    1        0.120   0.748  -1.183  0.00  0.00    +0.264 A 
ATOM     17  O   LIG    1        0.071   1.947  -1.376  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1       -0.979  -0.089  -0.701  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1       -5.150   1.846   1.314  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -4.761   3.149   1.614  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -2.221   0.225  -0.113  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -3.455   3.565   1.389  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  24
ATOM     23  C   LIG    1       -1.040   4.290  -0.049  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -1.195   3.100   0.726  0.00  0.00    -0.494 OA
ENDBRANCH   1  24
BRANCH  15  25
ATOM     25  C   LIG    1        2.372   0.368  -2.137  0.00  0.00    +0.216 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.481   0.447  -1.188  0.00  0.00    -0.282 NA
ATOM     27  C   LIG    1        3.978  -0.848  -0.701  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1        3.675  -1.124   0.789  0.00  0.00    +0.099 C 
ATOM     29  N   LIG    1        4.140  -0.074   1.719  0.00  0.00    -0.303 NA
ATOM     30  C   LIG    1        5.380  -0.451   2.390  0.00  0.00    +0.105 C 
ATOM     31  C   LIG    1        4.295   1.230   1.038  0.00  0.00    +0.099 C 
ATOM     32  C   LIG    1        3.279   1.426  -0.107  0.00  0.00    +0.101 C 
ENDBRANCH  25  26
ENDBRANCH  15  25
TORSDOF 3