REMARK  Name = BDB023040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.067  -1.553  -0.980  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1        0.009  -2.513   0.215  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.463  -2.872   0.251  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.123  -1.542  -0.121  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -1.226  -0.912  -1.068  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        5.165   1.649  -0.100  0.00  0.00    -0.063 NA
ATOM      7  C   LIG    1        4.434   0.577  -0.135  0.00  0.00    +0.222 A 
ATOM      8  C   LIG    1        3.015   0.496  -0.510  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1        2.103   1.455  -0.899  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1        0.981   0.799  -1.123  0.00  0.00    +0.203 A 
ATOM     11  N   LIG    1        1.103  -0.542  -0.853  0.00  0.00    -0.287 N 
ATOM     12  C   LIG    1        2.400  -0.732  -0.491  0.00  0.00    +0.145 A 
ATOM     13  N   LIG    1        3.040  -1.862  -0.147  0.00  0.00    -0.330 N 
ATOM     14  H   LIG    1        2.590  -2.778  -0.073  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        4.363  -1.720   0.202  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        5.055  -0.623   0.224  0.00  0.00    -0.214 NA
BRANCH   6  18
ATOM     17  C   LIG    1        5.349   3.908  -0.425  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1        4.460   2.802  -0.471  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        0.841  -3.667   0.037  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        0.277  -4.308  -0.453  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -1.676  -3.869  -0.766  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -2.631  -4.071  -0.775  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.326  -0.611   1.099  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.096   0.649   0.750  0.00  0.00    -0.017 A 
ATOM     25  C   LIG    1       -4.473   0.605   0.476  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -5.170   1.770   0.148  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -4.496   2.988   0.090  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -5.356   4.422  -0.314  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -3.131   3.050   0.357  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -2.433   1.885   0.687  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  O   LIG    1       -3.016  -1.312   2.135  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1       -3.379  -0.641   2.742  0.00  0.00    +0.210 HD
ENDBRANCH  23  31
ENDBRANCH   4  23
TORSDOF 7