REMARK  Name = BDB013294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.328  -1.269  -0.352  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.067   0.146   0.030  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.468   0.501  -0.041  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        2.389  -0.634   0.453  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1        1.601  -1.772   1.083  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.579  -2.251   0.066  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        0.552  -3.423  -0.309  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.842   1.204  -0.746  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.681   1.376  -2.129  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.321   2.425  -2.796  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.130   3.314  -2.086  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.903   4.619  -2.902  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.304   3.157  -0.712  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.662   2.112  -0.048  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1        1.808   1.800   0.680  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        2.379   2.862  -0.041  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        2.723   4.051   0.602  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        3.454   5.327  -0.299  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        2.496   4.202   1.963  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        1.937   3.157   2.695  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        1.602   1.963   2.060  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1       -1.646  -1.776  -0.824  0.00  0.00    +0.102 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.067  -2.052  -0.059  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -2.865  -1.119  -0.151  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -1.751  -1.821  -2.363  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -0.561  -2.318  -2.959  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -0.288  -3.101  -2.449  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  28
ATOM     28  C   LIG    1        2.517  -2.911   1.516  0.00  0.00    +0.133 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.765  -3.882   2.387  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        1.552  -3.699   3.580  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        1.283  -4.954   1.721  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        1.233  -4.802   0.764  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9