REMARK  Name = BDB034281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.701   1.259   1.074  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        3.464   0.906  -0.255  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        2.409   0.077  -0.608  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.527  -0.398   0.395  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.438  -1.229  -0.011  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        0.370  -1.597  -1.355  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        1.288  -1.077  -2.248  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        1.780  -0.020   1.738  0.00  0.00    +0.015 A 
ATOM      9  N   LIG    1        2.284  -0.243  -1.902  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        2.851   0.809   2.073  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1       -0.451  -1.747   0.948  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -0.593  -1.101   1.720  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -1.683  -2.446   0.589  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.766  -1.470   0.126  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.062  -2.217  -0.198  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -5.118  -1.352  -0.719  0.00  0.00    -0.309 NA
ATOM     17  H   LIG    1       -4.739  -0.708  -1.414  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -5.777  -0.564   0.325  0.00  0.00    +0.155 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -6.819   0.309  -0.280  0.00  0.00    +0.119 A 
ATOM     20  O   LIG    1       -6.487   1.620  -0.467  0.00  0.00    -0.467 OA
ATOM     21  C   LIG    1       -7.566   2.225  -1.026  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1       -8.588   1.323  -1.204  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -8.106   0.082  -0.724  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  24
ATOM     24  O   LIG    1        4.721   2.101   1.452  0.00  0.00    -0.456 OA
BRANCH  24  29
ATOM     25 CL   LIG    1       10.153   1.254  -0.631  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        8.559   1.480  -0.024  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        8.000   2.757  -0.007  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        6.707   2.941   0.487  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        5.975   1.844   0.946  0.00  0.00    +0.129 A 
ATOM     30  C   LIG    1        6.546   0.567   0.949  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1        7.839   0.385   0.454  0.00  0.00    +0.023 A 
ENDBRANCH  24  29
ENDBRANCH   1  24
TORSDOF 9