REMARK  Name = BDB015456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.039  -2.038  -0.128  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.062  -0.875  -0.798  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.032   0.256  -0.073  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.183   0.231   1.295  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.166  -1.015   1.871  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.096  -2.164   1.197  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.011   1.519  -0.855  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.584   2.620  -0.357  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        0.635   3.816  -1.057  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        1.296   4.952  -0.433  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.087   3.965  -2.330  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        0.103   5.014  -2.971  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -0.545   2.740  -2.916  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.105   2.861  -4.296  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.571   1.607  -2.196  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -0.362  -1.244   3.258  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -0.342  -2.261   3.375  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        0.797  -0.564   4.284  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        1.032   0.814   3.908  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        1.880  -1.519   4.360  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -0.086  -0.580   5.857  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -1.358   0.260   5.796  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        0.832  -0.087   6.973  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        0.105  -3.240  -0.826  0.00  0.00    -0.422 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -2.154  -3.378  -2.559  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -0.749  -3.224  -3.065  0.00  0.00    -0.007 A 
ATOM     27  C   LIG    1        0.340  -3.135  -2.178  0.00  0.00    +0.153 A 
ATOM     28  C   LIG    1        1.647  -3.006  -2.667  0.00  0.00    +0.084 A 
ATOM     29 CL   LIG    1        3.011  -2.967  -1.609  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1        1.871  -2.916  -4.041  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        0.795  -2.968  -4.926  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -0.506  -3.122  -4.442  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6