REMARK  Name = BDB014808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.162   0.249  -0.096  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -1.544   1.183  -0.032  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.120   2.576   0.961  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -6.640   1.310   0.327  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -5.700   0.363  -0.062  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -4.257   0.674  -0.146  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -3.448  -0.570  -0.220  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -2.041  -0.780  -0.200  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.764  -2.085  -0.303  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.957  -2.700  -0.371  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -3.000  -4.138  -0.470  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.996  -1.828  -0.348  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.448  -2.118  -0.420  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -6.185  -0.820  -0.806  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -7.852   1.146   0.187  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.250   0.277  -0.049  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        0.896   1.521   0.041  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.293   1.618   0.088  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.099   0.472   0.045  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        2.455  -0.769  -0.045  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.056  -0.862  -0.091  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.566   0.569   0.091  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        5.363  -0.046  -0.888  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        6.758   0.045  -0.848  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        7.394   0.746   0.182  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        6.610   1.373   1.157  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        5.215   1.281   1.113  0.00  0.00    +0.009 A 
BRANCH  25  28
ATOM     28  C   LIG    1        8.892   0.873   0.210  0.00  0.00    +0.191 C 
BRANCH  28  29
ATOM     29  O   LIG    1        9.310   2.039  -0.487  0.00  0.00    -0.390 OA
ATOM     30  H   LIG    1        8.518   2.457  -0.868  0.00  0.00    +0.210 HD
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 5