REMARK  Name = BDB011517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.717  -0.273  -0.915  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1        0.294   0.745  -0.422  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1       -0.122   1.835   0.001  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        1.651   0.425  -0.435  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1        2.241  -0.819  -0.897  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        1.645  -1.759  -1.766  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1        2.323  -2.951  -2.105  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.593  -3.239  -1.624  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        4.207  -2.328  -0.789  0.00  0.00    +0.002 A 
ATOM     10  O   LIG    1        0.448  -1.727  -2.421  0.00  0.00    -0.488 OA
ATOM     11  C   LIG    1        3.542  -1.147  -0.438  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -0.343  -0.556  -2.353  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.193  -0.433  -0.853  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -2.050   0.324  -0.780  0.00  0.00    -0.300 N 
ATOM     15  H   LIG    1       -2.074   1.267  -0.401  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1       -3.165  -1.618  -1.185  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -4.520   0.328  -0.588  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -4.494   1.085   0.737  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -6.835  -0.141  -1.173  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -5.627  -0.655  -0.547  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -5.315  -1.494  -1.050  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1        2.539   1.488   0.074  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.894   1.412   1.550  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        2.042   0.842   2.509  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.403   0.816   3.859  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        3.613   1.371   4.266  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        4.056   1.337   5.928  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        4.464   1.958   3.334  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        4.103   1.984   1.985  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5