REMARK  Name = BDB003958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.120   2.862  -0.015  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1       -0.805   1.912  -0.203  0.00  0.00    -0.200 NA
ATOM      3  C   LIG    1       -1.863   1.855   0.629  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -1.983   2.767   1.656  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.984   3.702   1.781  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.079   3.767   0.966  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.806   0.884   0.400  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1       -3.901   0.538   1.295  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -4.704  -0.533   0.509  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -5.406  -1.440   1.510  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -5.639  -1.098   2.668  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.800  -2.685   1.081  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.075  -3.249   1.879  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.723  -2.937   0.099  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.522  -3.861   0.253  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.753  -2.072  -1.137  0.00  0.00    +0.096 C 
ATOM     17  C   LIG    1       -6.965  -0.607  -0.806  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -5.680   0.149  -0.476  0.00  0.00    +0.018 C 
ATOM     19  C   LIG    1       -3.547  -1.264  -0.206  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -2.546  -0.165  -0.574  0.00  0.00    +0.107 C 
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  N   LIG    1        1.227   2.953  -0.854  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        1.879   3.537  -0.342  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.732   1.666  -1.303  0.00  0.00    +0.106 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.956   1.848  -2.202  0.00  0.00    +0.037 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.199   2.357  -1.473  0.00  0.00    +0.109 C 
BRANCH  25  27
ATOM     26  C   LIG    1        5.373   0.326  -0.705  0.00  0.00    +0.401 C 
ATOM     27  N   LIG    1        4.665   1.458  -0.442  0.00  0.00    -0.281 N 
ATOM     28  H   LIG    1        4.454   1.632   0.531  0.00  0.00    +0.152 HD
ATOM     29  O   LIG    1        5.698  -0.055  -1.817  0.00  0.00    -0.226 OA
BRANCH  26  30
ATOM     30  O   LIG    1        5.639  -0.297   0.465  0.00  0.00    -0.445 OA
BRANCH  30  32
ATOM     31  C   LIG    1        5.628  -2.655  -0.249  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        6.382  -1.543   0.489  0.00  0.00    +0.107 C 
ATOM     33  C   LIG    1        7.803  -1.355  -0.055  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        6.472  -1.915   1.977  0.00  0.00    +0.055 C 
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8