REMARK  Name = BDB015694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.908   1.228  -0.791  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.705   0.518  -1.903  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.522   0.003  -2.030  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.532   0.177  -1.162  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.284   0.920  -0.065  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.053   1.500   0.149  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.431   1.087   0.866  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.229   1.224   2.192  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.275   1.368   3.094  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.956   1.524   4.505  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.609   1.370   2.696  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.572   1.503   3.446  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.845   1.187   1.242  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.812   1.054   0.401  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.220   1.737  -0.738  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        2.711   1.650  -1.625  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.181   1.501   0.608  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        4.246   2.472   0.461  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.357   1.491   1.799  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.915  -0.150   0.382  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        2.849  -1.231   0.208  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.811  -0.522   1.584  0.00  0.00    +0.027 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.029  -0.275   2.757  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.123   0.265   1.659  0.00  0.00    -0.001 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  25
ATOM     25  O   LIG    1       -0.723  -0.752  -3.180  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.873  -1.509  -3.203  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1       -1.940  -2.734  -2.523  0.00  0.00    +0.084 A 
ATOM     28 CL   LIG    1       -0.596  -3.353  -1.629  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -3.109  -3.493  -2.571  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -4.203  -3.040  -3.308  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -4.129  -1.833  -4.006  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.960  -1.059  -3.973  0.00  0.00    -0.007 A 
ATOM     33  C   LIG    1       -2.891   0.237  -4.729  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8