REMARK  Name = BDB034763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.076  -1.513   0.898  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.247  -1.212   0.545  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.931  -2.417   0.387  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -2.262  -2.453   0.039  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.908  -1.223  -0.149  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.229   0.010  -0.001  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -0.031  -3.462   0.625  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -0.335  -4.859   0.524  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -0.869   0.006   0.358  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        1.236  -2.918   0.924  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        2.268  -3.533   1.144  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -2.880   1.254  -0.149  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -2.250   1.996  -0.451  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.236   1.626  -0.006  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -4.791   2.671  -0.770  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -6.141   2.953  -0.611  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1       -6.953   4.201  -1.479  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -6.966   2.290   0.231  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1       -6.419   1.295   0.953  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -5.085   0.931   0.865  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.990   3.418  -1.687  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -3.287   4.002  -2.401  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1        2.147  -0.562   1.082  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.895  -0.308  -0.231  0.00  0.00    +0.057 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.062   0.699  -0.119  0.00  0.00    +0.076 C 
ATOM     26  C   LIG    1        3.545   2.105   0.214  0.00  0.00    +0.042 C 
BRANCH  25  27
ATOM     27  O   LIG    1        4.908   0.286   0.959  0.00  0.00    -0.388 OA
ATOM     28  H   LIG    1        5.392  -0.512   0.683  0.00  0.00    +0.210 HD
ENDBRANCH  25  27
BRANCH  25  29
ATOM     29  C   LIG    1        4.848   0.690  -1.457  0.00  0.00    +0.123 C 
BRANCH  29  31
ATOM     30  C   LIG    1        6.997   2.284  -1.466  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1        6.030   1.571  -1.458  0.00  0.00    -0.103 C 
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 9