REMARK  Name = BDB058464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.405  -3.785   0.732  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -2.519  -2.356   0.773  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -1.573  -1.456   0.269  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -2.031  -0.163   0.520  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.296   0.949   0.155  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.056   0.751  -0.480  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        0.373  -0.570  -0.752  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -3.273  -0.264   1.167  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -0.378  -1.690  -0.370  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -3.578  -1.633   1.356  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -4.566  -2.092   1.908  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        0.682   1.882  -0.893  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.277   2.761  -0.584  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.083   2.030  -1.076  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1        2.565   3.190  -1.663  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        1.557   4.498  -2.142  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        3.924   3.259  -1.835  0.00  0.00    +0.137 A 
ATOM     18  N   LIG    1        4.772   2.280  -1.464  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1        4.246   1.182  -0.899  0.00  0.00    +0.220 A 
ATOM     20  N   LIG    1        2.923   1.039  -0.708  0.00  0.00    -0.198 NA
BRANCH  19  21
ATOM     21  N   LIG    1        5.089   0.161  -0.514  0.00  0.00    -0.300 N 
ATOM     22  C   LIG    1        6.523   0.411  -0.431  0.00  0.00    +0.108 C 
ATOM     23  C   LIG    1        7.109  -0.249   0.816  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1        6.835  -1.751   0.864  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1        5.528  -2.141   0.175  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1        4.517  -0.996   0.160  0.00  0.00    +0.108 C 
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  27
ATOM     27  C   LIG    1       -4.066   0.832   1.661  0.00  0.00    +0.130 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.746   1.687   0.589  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.899   1.058  -0.219  0.00  0.00    +0.062 C 
ATOM     30  C   LIG    1       -5.426   0.017  -1.235  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -7.004   0.488   0.671  0.00  0.00    +0.041 C 
BRANCH  29  32
ATOM     32  O   LIG    1       -6.473   2.143  -0.972  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1       -7.215   1.787  -1.491  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 7