REMARK  Name = BDB034704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.208   0.438   0.035  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.075  -0.091  -0.193  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.799  -0.543   0.892  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -3.083  -1.104   0.957  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -3.400  -1.370   2.308  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -2.263  -0.999   3.057  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -2.138  -1.086   4.482  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.451  -1.819   2.737  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.291  -0.487   2.189  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -0.039   0.018   2.451  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.710   0.478   1.358  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.959   0.855  -1.081  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        0.385   1.244  -1.828  0.00  0.00    +0.152 HD
BRANCH  12  19
ATOM     14  C   LIG    1        4.653   0.582  -0.806  0.00  0.00    +0.127 A 
ATOM     15  N   LIG    1        5.111   1.487  -1.715  0.00  0.00    -0.249 NA
ATOM     16  C   LIG    1        4.164   2.160  -2.408  0.00  0.00    +0.133 A 
ATOM     17  C   LIG    1        2.797   1.976  -2.236  0.00  0.00    +0.080 A 
ATOM     18 CL   LIG    1        1.696   2.902  -3.190  0.00  0.00    -0.080 Cl
ATOM     19  C   LIG    1        2.343   1.041  -1.290  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        3.305   0.329  -0.570  0.00  0.00    +0.057 A 
BRANCH  14  23
ATOM     21  N   LIG    1        6.994   0.193  -0.337  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        7.096   0.815  -1.135  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        5.697  -0.173  -0.039  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1        5.395  -1.042   0.770  0.00  0.00    -0.269 OA
BRANCH  21  26
ATOM     25  C   LIG    1        9.407   0.252   0.061  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1        8.129  -0.559   0.146  0.00  0.00    +0.101 C 
ENDBRANCH  21  26
ENDBRANCH  14  23
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   4  27
ATOM     27  C   LIG    1       -3.988  -1.272  -0.155  0.00  0.00    +0.130 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.820  -0.010  -0.399  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.730  -0.093  -1.636  0.00  0.00    +0.062 C 
ATOM     30  C   LIG    1       -6.459   1.241  -1.829  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -6.745  -1.234  -1.543  0.00  0.00    +0.041 C 
BRANCH  29  32
ATOM     32  O   LIG    1       -4.904  -0.313  -2.783  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1       -5.483  -0.342  -3.566  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 8