REMARK  Name = BDB061455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.014  -4.973  -1.266  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -0.067  -3.837  -1.394  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -0.096  -2.716  -0.591  0.00  0.00    -0.309 N 
ATOM      4  C   LIG    1        0.923  -1.893  -0.988  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1        1.526  -2.554  -2.044  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        2.605  -1.926  -2.668  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.982  -0.670  -2.175  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        2.293  -0.097  -1.095  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        1.248  -0.696  -0.469  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1        0.909  -3.754  -2.283  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.647   1.229  -0.556  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.647   2.130  -0.171  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        2.004   3.365   0.343  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        3.280   3.754   0.487  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        4.247   2.897   0.130  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        3.975   1.638  -0.391  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        1.027   4.291   0.703  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        0.357   3.889   1.347  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        1.517   5.089   1.101  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        5.574   3.311   0.301  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        6.050   3.314  -0.596  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        6.057   2.667   0.919  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -0.998  -2.426   0.502  0.00  0.00    +0.169 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.959  -1.256   0.240  0.00  0.00    +0.192 C 
ATOM     25  C   LIG    1       -2.958  -1.587  -0.868  0.00  0.00    +0.054 C 
BRANCH  24  26
ATOM     26  O   LIG    1       -2.681  -1.046   1.469  0.00  0.00    -0.472 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.076   0.256   1.707  0.00  0.00    +0.216 A 
ATOM     28  N   LIG    1       -2.841   1.212   0.789  0.00  0.00    -0.206 NA
ATOM     29  C   LIG    1       -3.262   2.459   1.089  0.00  0.00    +0.110 A 
ATOM     30 BR   LIG    1       -2.929   3.823  -0.185  0.00  0.00    -0.029 Br
ATOM     31  C   LIG    1       -3.912   2.790   2.270  0.00  0.00    +0.035 A 
ATOM     32  C   LIG    1       -4.144   1.780   3.198  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1       -3.720   0.487   2.912  0.00  0.00    +0.067 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7