REMARK  Name = BDB059904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.172  -0.982   0.520  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1        1.336   0.079   0.852  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1        0.184  -0.504   1.355  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.961   0.224   1.746  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.935   1.528   1.679  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        0.220   2.130   1.230  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.399  -1.856   1.390  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1        1.342   1.503   0.813  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1        1.569  -2.181   0.893  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.470   2.373   0.442  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        2.497   3.015  -0.804  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        3.554   3.863  -1.136  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.588   4.079  -0.226  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        4.569   3.447   1.017  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.513   2.597   1.351  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  C   LIG    1        3.487  -0.950  -0.128  0.00  0.00    +0.360 C 
ATOM     17  O   LIG    1        3.958   0.025  -0.700  0.00  0.00    -0.243 OA
BRANCH  16  18
ATOM     18  O   LIG    1        4.127  -2.157  -0.042  0.00  0.00    -0.460 OA
BRANCH  18  20
ATOM     19  C   LIG    1        5.278  -2.577  -2.130  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        5.418  -2.231  -0.659  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   4  21
ATOM     21  N   LIG    1       -2.073  -0.466   2.188  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.162  -1.435   1.901  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.380   0.167   2.255  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.052   0.104   0.912  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.600  -1.074   0.428  0.00  0.00    +0.128 A 
ATOM     26  O   LIG    1       -4.577  -2.275   1.095  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.499  -3.100   0.342  0.00  0.00    +0.234 C 
ATOM     28  C   LIG    1       -5.614  -2.550  -1.079  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -5.199  -1.154  -0.822  0.00  0.00    -0.002 A 
ATOM     30  C   LIG    1       -5.271  -0.048  -1.649  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -4.726   1.153  -1.190  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -4.117   1.228   0.075  0.00  0.00    +0.009 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 7