REMARK  Name = BDB017515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.015  -0.233  -1.763  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.056   0.054  -1.004  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.220   0.055  -1.653  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.489   0.315  -1.120  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -3.449   0.190  -2.147  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.733  -0.134  -3.318  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.293  -0.360  -4.618  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.656   0.331  -2.047  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.380  -0.212  -2.992  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.256  -0.486  -3.699  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.954  -0.495  -3.095  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.771   0.638   0.262  0.00  0.00    +0.119 C 
ATOM     13  C   LIG    1       -2.027   1.878   0.777  0.00  0.00    +0.185 C 
ATOM     14  O   LIG    1       -2.478   2.294   2.071  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1       -2.866   1.236   2.950  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -2.206  -0.096   2.626  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -2.551  -0.553   1.208  0.00  0.00    +0.030 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        2.301  -0.265  -1.228  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        2.963  -0.444  -1.968  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        5.161  -0.084  -0.909  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        4.238  -0.086   0.281  0.00  0.00    -0.024 A 
ATOM     22  C   LIG    1        2.764  -0.164   0.065  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        1.996  -0.149   1.175  0.00  0.00    +0.138 A 
ATOM     24  N   LIG    1        2.550  -0.061   2.446  0.00  0.00    -0.219 N 
ATOM     25  C   LIG    1        3.921   0.014   2.663  0.00  0.00    +0.156 A 
ATOM     26  N   LIG    1        4.176   0.086   3.950  0.00  0.00    -0.215 NA
ATOM     27  C   LIG    1        2.932   0.050   4.502  0.00  0.00    +0.246 A 
ATOM     28  N   LIG    1        1.915  -0.045   3.646  0.00  0.00    -0.154 NA
ATOM     29  C   LIG    1        4.764   0.001   1.525  0.00  0.00    +0.053 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3