REMARK  Name = BDB004915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.693   0.102  -0.251  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        3.332   0.374  -0.507  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        2.491   0.591   0.602  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.130   0.844   0.325  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.659   0.926  -0.929  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.534   0.716  -1.909  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        3.023   0.558   1.916  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        4.366   0.293   2.146  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.833   0.434  -1.763  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        5.198   0.061   1.063  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.274  -0.152  -2.628  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        5.947  -0.306  -3.364  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        4.305   0.051  -2.860  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.696  -0.158  -1.332  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.876  -0.374  -1.075  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.232   1.052   1.393  0.00  0.00    -0.328 N 
ATOM     17  H   LIG    1        0.313   0.285   2.054  0.00  0.00    +0.147 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.166   1.328   1.039  0.00  0.00    +0.111 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.959   0.052   0.669  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1       -3.240   0.463  -0.104  0.00  0.00    +0.060 C 
ATOM     21  C   LIG    1       -4.356  -0.565  -0.075  0.00  0.00    +0.011 C 
ATOM     22  C   LIG    1       -4.401  -1.472   0.915  0.00  0.00    +0.018 C 
ATOM     23  C   LIG    1       -3.417  -1.496   1.972  0.00  0.00    -0.002 C 
ATOM     24  C   LIG    1       -2.270  -0.809   1.876  0.00  0.00    -0.021 C 
BRANCH  21  25
ATOM     25  N   LIG    1       -5.277  -0.474  -1.102  0.00  0.00    -0.292 N 
ATOM     26  H   LIG    1       -5.123   0.265  -1.779  0.00  0.00    +0.154 HD
ATOM     27  C   LIG    1       -6.388  -1.258  -1.331  0.00  0.00    +0.329 C 
ATOM     28  O   LIG    1       -6.809  -2.204  -0.682  0.00  0.00    -0.279 OA
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 5