REMARK  Name = BDB015788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.283   1.114  -0.003  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.770   0.374   0.979  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.451   0.490   1.150  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.359   1.275   0.420  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.207   2.006  -0.560  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.559   1.950  -0.819  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.707   2.857  -1.366  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.982   2.453  -1.537  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.904   3.183  -2.273  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.253   2.656  -2.406  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.581   4.387  -2.889  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.346   5.071  -3.562  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.185   4.855  -2.686  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.321   4.127  -1.967  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        3.666   0.900  -0.216  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        4.196   1.741  -0.441  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        4.038  -0.285  -1.350  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        5.099   0.309  -2.140  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.838  -0.765  -1.997  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.782  -1.584  -0.369  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.935  -2.159   0.759  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        2.921  -4.085  -0.580  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        2.666  -2.910   0.349  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -0.081  -0.339   2.131  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.446  -0.300   2.274  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1       -2.241  -1.310   1.708  0.00  0.00    -0.002 A 
ATOM     27  C   LIG    1       -3.629  -1.260   1.915  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -4.205  -0.232   2.669  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -3.401   0.755   3.236  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -2.025   0.711   3.043  0.00  0.00    +0.166 A 
ATOM     31  F   LIG    1       -1.257   1.652   3.611  0.00  0.00    -0.202 F 
BRANCH  26  32
ATOM     32  C   LIG    1       -1.641  -2.442   0.910  0.00  0.00    +0.035 C 
ATOM     33  C   LIG    1       -1.091  -3.542   1.804  0.00  0.00    +0.009 C 
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 9