REMARK  Name = BDB032689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.273   0.224  -1.885  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.188  -0.389  -1.017  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.399   0.243  -0.808  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.526  -0.175   0.033  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.474   0.836  -0.034  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.116   1.850  -1.016  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.580  -1.225   0.643  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.739   1.447  -1.420  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.848   2.070  -2.274  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.609   1.455  -2.498  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.838   0.717   0.471  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.693  -0.178  -0.441  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.521  -0.270  -1.655  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.766  -0.797   0.158  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.348  -1.356  -0.451  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.209  -0.654   1.449  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.272  -1.151   1.811  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.376   0.216   2.360  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.920   0.241   1.921  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.074  -0.408  -2.133  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.927  -0.049  -1.045  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        3.898  -0.123  -0.064  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        3.347   0.415   0.590  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.195  -0.521  -1.165  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        3.589  -1.183  -2.112  0.00  0.00    -0.226 OA
BRANCH  22  32
ATOM     26  C   LIG    1        8.376  -2.061  -1.015  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1        7.426  -1.280  -0.157  0.00  0.00    +0.040 A 
ATOM     28  N   LIG    1        7.907  -0.782   1.006  0.00  0.00    -0.257 NA
ATOM     29  C   LIG    1        7.062  -0.080   1.792  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        7.612   0.463   3.076  0.00  0.00    +0.065 C 
ATOM     31  C   LIG    1        5.734   0.145   1.449  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1        5.246  -0.372   0.249  0.00  0.00    +0.040 A 
ATOM     33  C   LIG    1        6.108  -1.098  -0.566  0.00  0.00    +0.046 A 
ENDBRANCH  22  32
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5