REMARK  Name = BDB013692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.113   1.883  -0.107  0.00  0.00    +0.093 C 
ATOM      2  C   LIG    1       -0.076   1.117  -0.773  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1        0.443   0.198  -1.887  0.00  0.00    +0.042 C 
ATOM      4  C   LIG    1        1.534  -0.748  -1.399  0.00  0.00    +0.107 C 
ATOM      5  N   LIG    1        2.628   0.022  -0.783  0.00  0.00    -0.328 N 
ATOM      6  C   LIG    1        2.213   0.884   0.342  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.819  -0.712  -0.635  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        4.468  -1.210  -1.779  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        5.659  -1.941  -1.692  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        6.228  -2.180  -0.448  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        7.690  -3.078  -0.331  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        5.620  -1.690   0.701  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        4.429  -0.958   0.605  0.00  0.00    +0.024 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     14  C   LIG    1        0.161   2.390   2.150  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1        0.809   2.896   0.945  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1        0.042   4.021   0.405  0.00  0.00    +0.105 C 
ENDBRANCH   1  15
BRANCH   2  17
ATOM     17  N   LIG    1       -0.864   0.338   0.195  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -0.312  -0.271   0.782  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.184  -0.017  -0.024  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1       -2.870  -0.900   0.958  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -4.159  -1.326   0.658  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1       -4.848  -2.177   1.535  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1       -4.246  -2.590   2.723  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.964  -2.148   3.039  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.809  -0.858  -0.576  0.00  0.00    +0.275 A 
ATOM     26  O   LIG    1       -5.932  -1.270  -0.859  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -4.091   0.050  -1.342  0.00  0.00    -0.230 N 
ATOM     28  C   LIG    1       -4.654   0.555  -2.580  0.00  0.00    +0.176 C 
ATOM     29  C   LIG    1       -2.276  -1.302   2.164  0.00  0.00    +0.012 A 
ATOM     30  N   LIG    1       -2.798   0.421  -1.086  0.00  0.00    -0.153 NA
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 4