REMARK  Name = BDB042401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.676  -0.808   0.623  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        1.003   0.425   0.622  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -0.332   0.528   0.211  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.040  -0.634  -0.183  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.374  -1.864  -0.183  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.965  -1.947   0.214  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.384  -0.484  -0.613  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -3.356  -1.414   0.014  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -3.942  -2.433  -0.989  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.546  -1.853  -2.208  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -5.995  -1.715  -2.089  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.928  -0.551  -2.555  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.459  -0.431  -2.097  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     14  C   LIG    1        5.797  -1.079   1.841  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        5.399  -0.149   0.881  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        4.061  -0.059   0.485  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        3.086  -0.900   1.040  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        3.500  -1.832   2.006  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        4.841  -1.922   2.404  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        7.583  -1.988   3.118  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        7.132  -1.063   2.138  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH   3  22
ATOM     22  N   LIG    1       -1.050   1.752   0.258  0.00  0.00    -0.296 N 
ATOM     23  H   LIG    1       -1.969   1.574  -0.159  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -0.598   3.040  -0.131  0.00  0.00    +0.148 A 
ATOM     25  C   LIG    1       -1.499   4.100   0.023  0.00  0.00    +0.102 A 
ATOM     26  C   LIG    1       -1.028   5.308  -0.474  0.00  0.00    +0.155 A 
ATOM     27 CL   LIG    1       -2.020   6.720  -0.468  0.00  0.00    -0.060 Cl
ATOM     28  N   LIG    1        0.203   5.530  -0.965  0.00  0.00    -0.222 NA
ATOM     29  C   LIG    1        0.991   4.455  -0.990  0.00  0.00    +0.225 A 
ATOM     30  N   LIG    1        0.654   3.219  -0.600  0.00  0.00    -0.219 NA
BRANCH  25  31
ATOM     31  N   LIG    1       -2.838   3.879   0.434  0.00  0.00    -0.353 N 
ATOM     32  H   LIG    1       -2.891   3.119   1.113  0.00  0.00    +0.143 HD
ATOM     33  H   LIG    1       -3.280   4.731   0.778  0.00  0.00    +0.143 HD
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 6