REMARK  Name = BDB034752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.293   0.752   0.326  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.029   0.920  -0.130  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.788  -0.209  -0.372  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -3.108  -0.338  -0.831  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -3.440  -1.708  -0.872  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -2.289  -2.412  -0.474  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -2.191  -3.833  -0.314  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.533  -2.172  -1.165  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.284  -1.491  -0.154  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -0.008  -1.696   0.318  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.774  -0.559   0.563  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.058   1.904   0.612  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.608   2.765   0.316  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        4.607   1.270   0.335  0.00  0.00    +0.180 A 
ATOM     15  N   LIG    1        3.280   1.070   0.257  0.00  0.00    -0.209 NA
ATOM     16  C   LIG    1        2.467   2.074   0.645  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1        2.991   3.275   1.117  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1        2.010   4.599   1.612  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        4.365   3.374   1.159  0.00  0.00    +0.136 A 
ATOM     20  N   LIG    1        5.199   2.388   0.774  0.00  0.00    -0.233 NA
BRANCH  14  26
ATOM     21  C   LIG    1        6.427  -3.084  -1.539  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1        6.262  -1.744  -0.929  0.00  0.00    +0.061 A 
ATOM     23  N   LIG    1        7.329  -1.051  -0.523  0.00  0.00    -0.176 NA
ATOM     24  N   LIG    1        6.815   0.098  -0.030  0.00  0.00    -0.263 N 
ATOM     25  C   LIG    1        7.735   1.074   0.508  0.00  0.00    +0.173 C 
ATOM     26  C   LIG    1        5.443   0.167  -0.108  0.00  0.00    +0.106 A 
ATOM     27  C   LIG    1        5.070  -1.034  -0.692  0.00  0.00    +0.055 A 
ENDBRANCH  14  26
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  28
ATOM     28  C   LIG    1       -4.005   0.743  -1.151  0.00  0.00    +0.130 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.770   1.306   0.053  0.00  0.00    +0.056 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.025   0.532   0.518  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1       -6.651   1.276   1.706  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -7.077   0.378  -0.585  0.00  0.00    +0.041 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -5.666  -0.757   1.006  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -5.555  -1.359   0.240  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7