REMARK  Name = BDB028862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.231   4.015  -0.125  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.129   2.656  -0.351  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1       -1.321   2.261  -0.956  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1       -1.552   0.916  -1.333  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -0.574   0.030  -1.082  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1        0.687   0.518  -0.422  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1       -2.169   3.318  -1.138  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1        0.875   1.771  -0.086  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -1.506   4.356  -0.629  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.260   5.544   1.799  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1        0.789   4.911   0.510  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        1.272   5.992  -0.459  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1        1.675  -0.409  -0.170  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1        1.395  -1.391  -0.187  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.788  -0.127   0.722  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.728  -1.339   0.794  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        3.022  -2.553   1.435  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1        4.008  -3.507   2.144  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1        5.326  -3.523   1.501  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1        5.229  -3.805   0.526  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        5.971  -2.205   1.557  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        5.001  -1.016   1.579  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1        2.290  -3.237   0.410  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        2.918  -3.812  -0.062  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1       -2.792   0.636  -1.924  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1       -3.270   1.526  -2.113  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.036  -0.353  -2.959  0.00  0.00    +0.158 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.026  -1.773  -2.516  0.00  0.00    +0.056 A 
ATOM     29  N   LIG    1       -3.806  -2.281  -1.503  0.00  0.00    -0.264 N 
ATOM     30  N   LIG    1       -3.597  -3.602  -1.296  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -2.682  -3.936  -2.204  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -2.294  -2.844  -2.993  0.00  0.00    +0.046 A 
BRANCH  29  33
ATOM     33  C   LIG    1       -4.778  -1.578  -0.666  0.00  0.00    +0.101 C 
ATOM     34  C   LIG    1       -6.139  -2.278  -0.666  0.00  0.00    +0.032 C 
ATOM     35  C   LIG    1       -4.250  -1.398   0.756  0.00  0.00    +0.032 C 
ENDBRANCH  29  33
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 9