REMARK  Name = BDB034756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.133   0.513  -1.326  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.261   0.418  -1.203  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.818   1.556  -1.786  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        2.179   1.760  -1.821  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.989   0.775  -1.240  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.443  -0.389  -0.647  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -0.226   2.353  -2.268  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -0.071   3.618  -2.925  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        1.047  -0.561  -0.630  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -1.455   1.724  -1.981  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -2.574   2.141  -2.234  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.247  -1.366  -0.022  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.830  -2.295  -0.046  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.525  -1.286   0.578  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        5.404  -2.385   0.576  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.660  -2.221   1.144  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        7.837  -3.478   1.213  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        7.102  -1.071   1.701  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        6.249  -0.030   1.694  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        4.977  -0.089   1.149  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        5.019  -3.636   0.004  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        4.648  -4.634  -0.457  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -2.110  -0.422  -0.822  0.00  0.00    +0.145 C 
BRANCH  23  25
ATOM     24  N   LIG    1       -3.796  -0.863   1.019  0.00  0.00    -0.298 NA
ATOM     25  C   LIG    1       -2.800   0.070   0.464  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1       -1.833   0.184   1.644  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1       -2.720   0.100   2.880  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1       -4.072  -0.388   2.374  0.00  0.00    +0.085 C 
BRANCH  24  30
ATOM     29  C   LIG    1       -5.770   0.153  -0.240  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -4.997  -1.083   0.212  0.00  0.00    +0.081 C 
ENDBRANCH  24  30
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6