REMARK  Name = BDB015706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.740  -0.861   0.154  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.433   0.338  -0.343  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.143   0.516  -0.642  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.829  -0.394  -0.465  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.467  -1.585   0.051  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.838  -1.869   0.393  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.576  -2.544   0.270  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.415  -3.852  -0.012  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.433  -4.779   0.163  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.171  -6.171  -0.168  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.697  -4.421   0.627  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.634  -5.196   0.797  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.889  -2.979   0.921  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.884  -2.113   0.744  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        3.099  -1.005   0.511  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        3.490  -1.942   0.452  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.533  -0.303   1.973  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        4.794  -0.923   2.326  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.407  -0.387   2.879  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.846   1.413   1.555  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.872   1.576   0.440  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.703   3.887   1.133  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        5.088   3.035   0.034  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       -0.172   1.774  -1.145  0.00  0.00    -0.419 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.478   1.942  -1.533  0.00  0.00    +0.185 A 
ATOM     26  C   LIG    1       -2.421   2.520  -0.674  0.00  0.00    +0.089 A 
ATOM     27 CL   LIG    1       -1.938   3.009   0.917  0.00  0.00    -0.079 Cl
ATOM     28  C   LIG    1       -3.750   2.699  -1.103  0.00  0.00    -0.028 A 
ATOM     29  C   LIG    1       -4.799   3.304  -0.210  0.00  0.00    +0.045 C 
ATOM     30  C   LIG    1       -4.106   2.301  -2.405  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -3.157   1.742  -3.263  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -1.851   1.571  -2.824  0.00  0.00    +0.167 A 
ATOM     33  F   LIG    1       -0.948   1.040  -3.660  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8