REMARK  Name = BDB034750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.520  -3.111   3.691  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -0.603  -2.439   2.428  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.479  -1.901   1.723  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.013  -1.321   0.554  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.820  -0.697  -0.354  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        2.198  -0.659  -0.075  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.678  -1.249   1.120  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -1.403  -1.503   0.535  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.820  -1.881   2.031  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -1.792  -2.191   1.708  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -2.927  -2.499   2.035  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.046   0.017  -0.978  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.712  -0.030  -1.939  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.297   0.650  -0.794  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        5.256   0.691  -1.824  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.479   1.293  -1.557  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        7.744   1.415  -2.721  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        6.815   1.847  -0.370  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        5.886   1.800   0.602  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        4.639   1.219   0.440  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.983   0.128  -3.107  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        4.699  -0.329  -4.136  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1       -2.308  -1.010  -0.477  0.00  0.00    +0.133 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.682   0.460  -0.258  0.00  0.00    +0.040 C 
ATOM     25  C   LIG    1       -3.515   1.074  -1.394  0.00  0.00    +0.068 C 
ATOM     26  C   LIG    1       -2.700   1.386  -2.643  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.088   2.341  -0.750  0.00  0.00    +0.035 C 
ATOM     28  C   LIG    1       -4.324   1.979   0.718  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1       -3.568   0.675   0.976  0.00  0.00    +0.008 C 
BRANCH  25  30
ATOM     30  O   LIG    1       -4.577   0.206  -1.785  0.00  0.00    -0.389 OA
ATOM     31  H   LIG    1       -5.208   0.122  -1.049  0.00  0.00    +0.210 HD
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6