REMARK  Name = BDB048369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.639   1.634  -3.469  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.927   0.986  -3.027  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.109   0.796  -1.663  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.245   1.450  -0.653  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.370   0.768   0.662  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.679   0.950   1.884  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.193   0.187   2.853  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.152  -0.543   2.244  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.311  -0.203   0.936  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.280  -0.739  -0.050  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.413   0.275  -1.205  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.758   0.636  -3.867  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.318   1.835   2.110  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.523   1.927   3.103  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.517   2.016   1.381  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.023   1.053   0.495  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        3.208   1.265  -0.234  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1        3.893   2.474  -0.040  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        3.414   3.435   0.852  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.235   3.204   1.558  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        3.709   0.250  -1.172  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.877  -1.085  -0.798  0.00  0.00    +0.119 A 
ATOM     23  N   LIG    1        4.325  -2.069  -1.616  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        4.628  -1.712  -2.881  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        4.504  -0.421  -3.363  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        4.040   0.567  -2.496  0.00  0.00    +0.011 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.886  -1.540   3.012  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.240  -2.891   2.930  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -3.006  -4.122   3.348  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -2.670  -3.905   1.899  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5