REMARK  Name = BDB034807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.341  -2.615  -3.291  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        2.566  -1.530  -2.382  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        1.688  -1.129  -1.368  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        2.253  -0.034  -0.714  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.616   0.581   0.346  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.361   0.089   0.750  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -0.187  -1.030   0.078  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        3.485   0.244  -1.327  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.470  -1.648  -0.994  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        3.688  -0.679  -2.381  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        4.649  -0.724  -3.133  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -0.276   0.689   1.858  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.226   1.493   2.223  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -1.656   0.774   2.174  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1       -2.036   1.272   3.411  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1       -0.919   1.855   4.581  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1       -3.385   1.300   3.660  0.00  0.00    +0.137 A 
ATOM     18  N   LIG    1       -4.315   0.878   2.781  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1       -3.885   0.404   1.603  0.00  0.00    +0.220 A 
ATOM     20  N   LIG    1       -2.579   0.341   1.289  0.00  0.00    -0.198 NA
BRANCH  19  21
ATOM     21  N   LIG    1       -4.812  -0.066   0.677  0.00  0.00    -0.300 N 
ATOM     22  C   LIG    1       -6.209   0.261   0.917  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1       -7.101  -0.753   0.195  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -6.515  -1.238  -1.140  0.00  0.00    +0.094 C 
ATOM     25  C   LIG    1       -5.490  -0.249  -1.691  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -4.335  -0.066  -0.706  0.00  0.00    +0.109 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -7.586  -1.473  -2.121  0.00  0.00    +0.066 C 
ATOM     28  N   LIG    1       -8.430  -1.651  -2.898  0.00  0.00    -0.196 NA
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  29
ATOM     29  C   LIG    1        4.376   1.336  -1.018  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.661   0.898  -0.303  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.566   0.745   1.229  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1        6.862   0.127   1.766  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1        5.316   2.084   1.925  0.00  0.00    +0.041 C 
BRANCH  31  34
ATOM     34  O   LIG    1        4.497  -0.125   1.589  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1        4.560  -0.925   1.037  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   8  29
TORSDOF 8