REMARK  Name = BDB001969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.637  -0.336  -2.371  0.00  0.00    +0.194 A 
ATOM      2  N   LIG    1        0.285  -0.193  -2.525  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -0.176  -1.458  -2.807  0.00  0.00    +0.172 A 
ATOM      4  N   LIG    1        0.838  -2.299  -2.826  0.00  0.00    -0.128 NA
ATOM      5  N   LIG    1        1.983  -1.588  -2.560  0.00  0.00    -0.122 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.535  -1.842  -3.021  0.00  0.00    +0.056 A 
ATOM      7  S   LIG    1       -2.238  -1.790  -4.581  0.00  0.00    -0.094 S 
ATOM      8  C   LIG    1       -3.736  -2.375  -3.990  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.694  -2.624  -2.636  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -2.422  -2.308  -2.073  0.00  0.00    +0.019 A 
ENDBRANCH   3   6
BRANCH   1  11
ATOM     11  S   LIG    1        2.723   0.943  -1.957  0.00  0.00    -0.062 S 
BRANCH  11  12
ATOM     12  C   LIG    1        3.775   0.076  -0.745  0.00  0.00    +0.226 C 
BRANCH  12  15
ATOM     13  O   LIG    1        3.955   1.905   1.399  0.00  0.00    -0.265 OA
ATOM     14  C   LIG    1        3.262   0.897   1.514  0.00  0.00    +0.279 A 
ATOM     15  N   LIG    1        3.110  -0.071   0.542  0.00  0.00    -0.200 N 
ATOM     16  N   LIG    1        2.295  -1.160   0.674  0.00  0.00    -0.061 NA
ATOM     17  N   LIG    1        1.619  -1.356   1.708  0.00  0.00    -0.131 NA
ATOM     18  C   LIG    1        1.707  -0.459   2.776  0.00  0.00    +0.100 A 
ATOM     19  C   LIG    1        0.953  -0.705   3.929  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        1.013   0.164   5.025  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        1.831   1.291   4.978  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.580   1.552   3.831  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        2.508   0.671   2.744  0.00  0.00    +0.068 A 
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   2  24
ATOM     24  C   LIG    1       -0.503   1.025  -2.483  0.00  0.00    +0.161 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.308   1.157  -1.209  0.00  0.00    -0.028 A 
ATOM     26  C   LIG    1       -2.710   1.122  -1.252  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.461   1.255  -0.081  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.820   1.432   1.146  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.429   1.473   1.204  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -0.678   1.344   0.033  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 6