REMARK  Name = BDB034761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.059  -4.653  -0.970  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        0.170  -3.224  -0.969  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.889  -2.329  -0.776  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.376  -1.033  -0.831  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.185   0.074  -0.668  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -2.558  -0.132  -0.444  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -3.058  -1.455  -0.385  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        1.004  -1.129  -1.060  0.00  0.00    -0.290 N 
ATOM      9  C   LIG    1       -2.226  -2.570  -0.556  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        1.363  -2.494  -1.140  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        2.487  -2.941  -1.310  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -3.379   0.996  -0.232  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -3.045   1.826  -0.720  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.590   1.153   0.480  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -5.555   2.098   0.083  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -6.740   2.167   0.804  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1       -8.008   3.273   0.432  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -7.035   1.384   1.867  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1       -6.101   0.486   2.232  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -4.890   0.335   1.577  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -5.327   2.961  -1.031  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -5.082   3.649  -1.934  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1        1.946  -0.039  -1.144  0.00  0.00    +0.145 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.786   0.120   0.139  0.00  0.00    +0.077 C 
ATOM     25  N   LIG    1        3.799   1.195   0.081  0.00  0.00    -0.292 NA
ATOM     26  C   LIG    1        4.199   1.421   1.476  0.00  0.00    +0.085 C 
ATOM     27  C   LIG    1        2.920   1.239   2.280  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1        1.938   0.570   1.329  0.00  0.00    +0.022 C 
BRANCH  25  29
ATOM     29  C   LIG    1        4.954   0.855  -0.782  0.00  0.00    +0.156 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.110   1.873  -0.832  0.00  0.00    +0.355 C 
ATOM     31  F   LIG    1        6.755   1.930   0.360  0.00  0.00    -0.208 F 
ATOM     32  F   LIG    1        5.650   3.120  -1.098  0.00  0.00    -0.208 F 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7