REMARK  Name = BDB013952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.773  -1.193  -0.364  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.036  -0.752   0.918  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.674  -0.377   1.908  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.362  -0.711   0.868  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -2.147  -1.340  -0.152  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.760  -2.571  -0.722  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.535  -3.140  -1.748  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.699  -2.517  -2.189  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -4.109  -1.326  -1.603  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.577  -3.345  -0.198  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.343  -0.747  -0.588  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.752  -2.704  -0.561  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.870  -0.391  -1.428  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.143  -0.699  -0.301  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.439  -0.223   0.554  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.507  -0.676  -2.566  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.215   0.301  -1.132  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.242  -0.762  -0.750  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        3.325   2.453  -0.417  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.074   1.265  -0.010  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.006   1.561   0.282  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.048  -0.001   1.954  0.00  0.00    +0.150 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.146   1.510   1.806  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1       -2.863   2.267   2.754  0.00  0.00    +0.046 A 
ATOM     25 CL   LIG    1       -3.673   1.523   4.088  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -2.948   3.661   2.650  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -2.315   4.327   1.601  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -1.599   3.596   0.660  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -0.808   4.411  -0.632  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -1.515   2.205   0.755  0.00  0.00    +0.026 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5