REMARK  Name = BDB003627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.925   2.522   0.145  0.00  0.00    -0.174 NA
ATOM      2  C   LIG    1        1.640   2.254  -1.289  0.00  0.00    +0.128 C 
ATOM      3  C   LIG    1        1.055   0.849  -1.516  0.00  0.00    +0.123 C 
ATOM      4  N   LIG    1       -0.150   0.598  -0.709  0.00  0.00    -0.311 N 
ATOM      5  C   LIG    1       -0.344   1.502   0.443  0.00  0.00    +0.123 C 
ATOM      6  C   LIG    1        1.000   1.855   1.100  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.149  -0.295  -1.083  0.00  0.00    +0.142 A 
ATOM      8  N   LIG    1       -2.319  -0.188  -0.501  0.00  0.00    -0.148 NA
ATOM      9  N   LIG    1       -3.271  -1.080  -0.920  0.00  0.00    -0.191 N 
ATOM     10  C   LIG    1       -3.119  -2.056  -1.881  0.00  0.00    +0.178 A 
ATOM     11  N   LIG    1       -4.248  -2.701  -2.055  0.00  0.00    -0.128 NA
ATOM     12  N   LIG    1       -5.172  -2.148  -1.203  0.00  0.00    -0.127 NA
ATOM     13  C   LIG    1       -1.854  -2.191  -2.478  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -4.590  -1.183  -0.503  0.00  0.00    +0.185 A 
ATOM     15  C   LIG    1       -0.874  -1.357  -2.114  0.00  0.00    +0.049 A 
BRANCH  14  16
ATOM     16  C   LIG    1       -5.262  -0.356   0.506  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -4.577   0.270   1.560  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1       -5.264   1.040   2.503  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -6.642   1.183   2.402  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1       -7.297   1.921   3.308  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -7.347   0.566   1.379  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -6.659  -0.203   0.438  0.00  0.00    +0.014 A 
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   1  23
ATOM     23  S   LIG    1        3.537   2.707   0.626  0.00  0.00    +0.061 S 
ATOM     24  O   LIG    1        4.190   3.567  -0.338  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        3.547   3.015   2.040  0.00  0.00    -0.153 OA
BRANCH  23  30
ATOM     26  C   LIG    1        5.944  -2.836  -0.031  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        5.320  -1.479   0.119  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1        5.386  -0.550  -0.928  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.840   0.726  -0.777  0.00  0.00    +0.029 A 
ATOM     30  C   LIG    1        4.217   1.073   0.425  0.00  0.00    +0.105 A 
ATOM     31  C   LIG    1        4.185   0.172   1.492  0.00  0.00    +0.029 A 
ATOM     32  C   LIG    1        4.732  -1.103   1.335  0.00  0.00    +0.005 A 
ENDBRANCH  23  30
ENDBRANCH   1  23
TORSDOF 4