REMARK  Name = BDB041303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.696   1.194  -1.663  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        1.072   0.200  -2.445  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.246  -0.180  -2.139  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -0.808  -1.196  -2.917  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1       -0.171  -1.802  -3.944  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1        1.086  -1.422  -4.253  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -0.915   0.466  -1.072  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -0.304   1.400  -0.313  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        1.682  -0.455  -3.521  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1        0.962   1.750  -0.624  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  12
ATOM     11  N   LIG    1        4.184   1.084  -1.312  0.00  0.00    -0.262 N 
ATOM     12  C   LIG    1        3.066   1.640  -1.893  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        3.540   2.670  -2.683  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        4.935   2.646  -2.524  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1        5.331   1.685  -1.689  0.00  0.00    -0.179 NA
BRANCH  11  16
ATOM     16  C   LIG    1        4.247  -0.041  -0.390  0.00  0.00    +0.159 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.357   0.435   1.064  0.00  0.00    +0.107 C 
BRANCH  17  19
ATOM     18  C   LIG    1        2.972  -1.205   2.217  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        4.328  -0.678   2.037  0.00  0.00    -0.307 NA
ATOM     20  C   LIG    1        4.854  -0.230   3.330  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   1  12
BRANCH   7  21
ATOM     21  N   LIG    1       -2.245   0.115  -0.771  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -2.814   0.228  -1.607  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.836   0.860   0.339  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.257   0.403   0.533  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.574  -0.880   0.970  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.689  -2.031   1.269  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -4.705  -2.959   1.938  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.039  -2.580   1.527  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.896  -1.281   1.114  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.956  -0.442   0.838  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.664   0.852   0.409  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.331   1.261   0.262  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.094   2.511  -0.164  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 7