REMARK  Name = BDB019821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.081   0.681   0.296  0.00  0.00    +0.189 C 
ATOM      2  C   LIG    1       -4.154  -0.121  -0.623  0.00  0.00    +0.096 C 
ATOM      3  N   LIG    1       -2.756  -0.030  -0.158  0.00  0.00    -0.310 N 
ATOM      4  C   LIG    1       -1.796  -1.052  -0.600  0.00  0.00    +0.107 C 
ATOM      5  C   LIG    1       -2.316  -1.808  -1.820  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -3.679  -2.442  -1.568  0.00  0.00    +0.003 C 
ATOM      7  C   LIG    1       -2.259   1.232   0.175  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1       -3.117   2.278   0.442  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1       -2.555   3.496   0.740  0.00  0.00    +0.129 A 
ATOM     10  N   LIG    1       -1.226   3.695   0.799  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1       -0.440   2.633   0.569  0.00  0.00    +0.222 A 
ATOM     12  N   LIG    1       -0.925   1.416   0.264  0.00  0.00    -0.199 NA
ATOM     13  C   LIG    1       -4.557  -1.610  -0.634  0.00  0.00    +0.024 C 
ATOM     14  C   LIG    1       -4.569   2.087   0.447  0.00  0.00    +0.183 C 
ATOM     15  O   LIG    1       -5.302   3.052   0.652  0.00  0.00    -0.291 OA
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1       -6.474   0.678  -0.277  0.00  0.00    +0.320 C 
ATOM     17  O   LIG    1       -6.736   0.876  -1.457  0.00  0.00    -0.250 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -7.386   0.389   0.693  0.00  0.00    -0.464 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -9.137  -0.987  -0.254  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       -8.761   0.383   0.278  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH  11  21
ATOM     21  N   LIG    1        0.917   2.878   0.660  0.00  0.00    -0.268 N 
ATOM     22  H   LIG    1        1.118   3.851   0.831  0.00  0.00    +0.156 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.061   2.116   0.530  0.00  0.00    +0.125 A 
ATOM     24  N   LIG    1        3.216   2.802   0.629  0.00  0.00    -0.238 NA
ATOM     25  C   LIG    1        4.384   2.113   0.510  0.00  0.00    +0.136 A 
ATOM     26  C   LIG    1        4.514   0.740   0.294  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        3.295   0.068   0.207  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        2.074   0.747   0.323  0.00  0.00    +0.045 A 
BRANCH  26  29
ATOM     29  N   LIG    1        5.729   0.090   0.189  0.00  0.00    -0.326 N 
ATOM     30  C   LIG    1        6.989   0.733   0.601  0.00  0.00    +0.120 C 
ATOM     31  C   LIG    1        8.056  -0.334   0.943  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1        8.399  -1.228  -0.184  0.00  0.00    -0.302 NA
ATOM     33  C   LIG    1        8.925  -2.497   0.311  0.00  0.00    +0.105 C 
ATOM     34  C   LIG    1        7.248  -1.422  -1.089  0.00  0.00    +0.103 C 
ATOM     35  C   LIG    1        5.849  -1.228  -0.456  0.00  0.00    +0.120 C 
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH  11  21
TORSDOF 6