REMARK  Name = BDB045330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.249   0.776   0.290  0.00  0.00    +0.075 C 
ATOM      2  C   LIG    1        1.041  -0.628  -0.329  0.00  0.00    +0.098 C 
ATOM      3  C   LIG    1        1.331  -1.729   0.691  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1        2.387  -2.515   0.224  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.892  -3.594   0.920  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1        2.302  -3.886   2.147  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        1.244  -3.110   2.646  0.00  0.00    +0.020 A 
ATOM      8 CL   LIG    1        2.881  -5.219   3.071  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1        2.820  -2.053  -1.005  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        3.538  -2.475  -1.576  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        0.752  -2.020   1.917  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        2.063  -0.978  -1.444  0.00  0.00    +0.230 C 
ATOM     13  O   LIG    1        2.202  -0.443  -2.532  0.00  0.00    -0.274 OA
ATOM     14  C   LIG    1       -0.387  -0.533  -0.891  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1       -1.118   0.389   0.115  0.00  0.00    +0.150 C 
ATOM     16  N   LIG    1       -0.062   1.113   0.893  0.00  0.00    -0.301 NA
ATOM     17  H   LIG    1       -0.076   0.774   1.853  0.00  0.00    +0.123 HD
ENDROOT
BRANCH  14  18
ATOM     18  C   LIG    1       -1.048  -1.857  -1.249  0.00  0.00    -0.041 A 
ATOM     19  C   LIG    1       -1.802  -2.623  -0.348  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -2.362  -3.844  -0.737  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.179  -4.320  -2.032  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -1.434  -3.576  -2.941  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -0.874  -2.358  -2.552  0.00  0.00    +0.004 A 
ENDBRANCH  14  18
BRANCH  15  24
ATOM     24  C   LIG    1       -2.051   1.420  -0.578  0.00  0.00    +0.233 C 
ATOM     25  N   LIG    1       -2.921   2.164   0.228  0.00  0.00    -0.306 N 
ATOM     26  C   LIG    1       -2.832   2.237   1.677  0.00  0.00    +0.131 C 
ATOM     27  C   LIG    1       -3.675   3.231  -0.409  0.00  0.00    +0.131 C 
ATOM     28  O   LIG    1       -2.042   1.567  -1.803  0.00  0.00    -0.274 OA
ENDBRANCH  15  24
BRANCH   1  29
ATOM     29  C   LIG    1        1.690   1.887  -0.692  0.00  0.00    +0.023 C 
BRANCH  29  31
ATOM     30  C   LIG    1        0.597   4.072   0.126  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1        1.900   3.314  -0.130  0.00  0.00    -0.016 C 
ATOM     32  C   LIG    1        2.792   3.342   1.111  0.00  0.00    +0.007 C 
ENDBRANCH  29  31
ENDBRANCH   1  29
TORSDOF 4