REMARK  Name = BDB034665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.482  -0.500   0.466  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1        0.081  -0.416   0.564  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.678  -1.349  -0.115  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.070  -1.502  -0.197  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.361  -2.593  -1.049  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -1.115  -3.117  -1.453  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -0.928  -4.230  -2.337  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.469  -2.992  -1.372  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.091  -2.349  -0.888  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        1.275  -2.461  -1.011  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        2.059  -1.521  -0.328  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        2.258   0.479   1.123  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        1.823   0.813   1.981  0.00  0.00    +0.152 HD
BRANCH  12  20
ATOM     14  C   LIG    1        5.929   1.478  -2.053  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1        5.379   1.433  -0.658  0.00  0.00    +0.042 A 
ATOM     16  N   LIG    1        6.187   1.838   0.342  0.00  0.00    -0.239 NA
ATOM     17  C   LIG    1        5.684   1.807   1.597  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        6.819   2.353   2.773  0.00  0.00    -0.061 Cl
ATOM     19  C   LIG    1        4.401   1.386   1.918  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        3.563   0.962   0.871  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        4.079   0.991  -0.432  0.00  0.00    +0.047 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.949   1.383   3.272  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        3.518   1.376   4.349  0.00  0.00    -0.191 NA
ENDBRANCH  19  22
ENDBRANCH  12  20
ENDBRANCH   1  12
BRANCH   4  24
ATOM     24  C   LIG    1       -3.059  -0.633   0.392  0.00  0.00    +0.130 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.359   0.569  -0.506  0.00  0.00    +0.056 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.389   1.565   0.058  0.00  0.00    +0.062 C 
ATOM     27  C   LIG    1       -3.912   2.227   1.353  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.762   0.924   0.266  0.00  0.00    +0.041 C 
BRANCH  26  29
ATOM     29  O   LIG    1       -4.566   2.603  -0.915  0.00  0.00    -0.389 OA
ATOM     30  H   LIG    1       -3.707   3.031  -1.067  0.00  0.00    +0.210 HD
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 7