REMARK  Name = BDB025151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.593   0.526   0.604  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.665  -0.280  -0.079  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.158  -1.465  -0.811  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.244  -2.686   0.114  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.347  -1.734  -2.075  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.891  -1.951  -1.736  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.370  -0.863  -0.841  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.973  -0.645  -0.772  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.027  -1.304  -1.440  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.161  -0.741  -1.075  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1       -0.925   0.258  -0.140  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.442   0.340   0.048  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.261   1.147   0.834  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.646   0.921   0.771  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.231  -0.062  -0.044  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.366   1.580   1.187  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.933   1.071   0.540  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -1.856   2.556   0.147  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -3.054   3.341   0.664  0.00  0.00    +0.168 C 
ATOM     20  S   LIG    1       -3.171   3.261   2.439  0.00  0.00    -0.031 S 
ATOM     21  O   LIG    1       -1.955   3.826   2.992  0.00  0.00    -0.174 OA
ATOM     22  O   LIG    1       -4.472   3.767   2.825  0.00  0.00    -0.174 OA
ATOM     23  C   LIG    1       -3.146   1.507   2.736  0.00  0.00    +0.168 C 
ATOM     24  C   LIG    1       -1.953   0.840   2.064  0.00  0.00    +0.048 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        7.850   0.790   1.231  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        6.862   0.011   0.555  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.496  -1.178  -1.638  0.00  0.00    +0.073 C 
ATOM     28  C   LIG    1       -3.150  -0.079  -2.480  0.00  0.00    +0.017 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -3.360  -1.888  -0.579  0.00  0.00    +0.154 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -4.747  -1.475  -0.520  0.00  0.00    -0.271 N 
ATOM     31  N   LIG    1       -5.098  -0.407   0.228  0.00  0.00    -0.180 NA
ATOM     32  C   LIG    1       -6.424  -0.340   0.078  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1       -6.920  -1.355  -0.759  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1       -5.810  -2.079  -1.127  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  10  27
TORSDOF 5