REMARK  Name = BDB017510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.421  -0.457   0.209  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.130  -0.135   0.001  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1        0.724  -0.654   0.885  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1        2.118  -0.490   0.920  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1        2.629  -1.184   2.039  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1        1.522  -1.798   2.661  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        1.555  -2.596   3.852  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1        3.789  -1.246   2.410  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        0.376  -1.455   1.947  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.941  -1.736   2.094  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1       -1.851  -1.242   1.227  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        2.852   0.351  -0.007  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1        3.989  -0.411  -0.703  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1        4.731   0.485  -1.697  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        5.240   1.772  -1.045  0.00  0.00    +0.115 C 
ATOM     16  C   LIG    1        4.121   2.518  -0.318  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1        3.379   1.621   0.675  0.00  0.00    +0.028 C 
BRANCH  15  18
ATOM     18  O   LIG    1        6.262   1.468  -0.102  0.00  0.00    -0.392 OA
ATOM     19  H   LIG    1        6.950   0.953  -0.557  0.00  0.00    +0.210 HD
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  20
ATOM     20  N   LIG    1       -2.307   0.088  -0.718  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1       -1.784   0.640  -1.382  0.00  0.00    +0.155 HD
BRANCH  20  24
ATOM     22  C   LIG    1       -3.449   1.552  -2.925  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -4.311   0.746  -1.988  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -3.675   0.005  -0.859  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1       -4.510  -0.695  -0.060  0.00  0.00    +0.138 A 
ATOM     26  N   LIG    1       -5.881  -0.721  -0.280  0.00  0.00    -0.219 N 
ATOM     27  C   LIG    1       -6.486  -0.037  -1.328  0.00  0.00    +0.156 A 
ATOM     28  N   LIG    1       -7.786  -0.228  -1.310  0.00  0.00    -0.215 NA
ATOM     29  C   LIG    1       -7.951  -1.042  -0.231  0.00  0.00    +0.246 A 
ATOM     30  N   LIG    1       -6.840  -1.372   0.427  0.00  0.00    -0.154 NA
ATOM     31  C   LIG    1       -5.648   0.711  -2.190  0.00  0.00    +0.053 A 
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4