REMARK  Name = BDB015665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.743   0.331  -0.679  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.929  -0.930  -0.268  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.831  -1.610   0.118  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.422  -1.036   0.132  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.491   0.256  -0.327  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.569   0.980  -0.688  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.031  -3.014   0.558  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.164  -3.334   1.215  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.422  -4.619   1.671  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.670  -4.864   2.377  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.531  -5.671   1.480  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.694  -6.820   1.879  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -0.297  -5.336   0.725  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.079  -4.085   0.297  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.656   1.055  -0.295  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        1.464   1.970  -0.707  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.106   0.444  -0.873  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.899  -0.883  -1.411  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.686   1.498  -1.678  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.078   0.301   0.653  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        4.194   1.652   1.357  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        5.452  -0.306   0.319  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        6.285  -0.636   1.548  0.00  0.00    +0.006 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  24
ATOM     24  O   LIG    1       -2.905   1.014  -1.014  0.00  0.00    -0.420 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -3.174   3.372  -1.348  0.00  0.00    -0.002 A 
ATOM     26  C   LIG    1       -2.749   2.119  -1.818  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -2.246   1.990  -3.117  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -1.889   0.786  -3.588  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -2.115   3.099  -3.944  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -2.504   4.353  -3.478  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -3.031   4.488  -2.190  0.00  0.00    +0.007 A 
BRANCH  25  33
ATOM     32  C   LIG    1       -2.658   3.825   1.069  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -3.743   3.551   0.038  0.00  0.00    +0.035 C 
ENDBRANCH  25  33
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8