REMARK  Name = BDB004842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.001   0.488  -0.547  0.00  0.00    -0.320 N 
ATOM      2  H   LIG    1       -0.502   1.063   0.133  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.129  -0.021   0.130  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.075   0.888   0.652  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.177   0.337   1.334  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        4.126   1.232   1.872  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        3.984   2.627   1.726  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        2.904   3.158   1.040  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.304  -1.004   1.453  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        2.357  -1.772   0.903  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        1.958   2.294   0.506  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        1.273  -1.346   0.261  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        5.340   0.786   2.626  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        6.144   1.591   3.085  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        5.545  -0.550   2.798  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        4.899  -1.230   2.406  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        6.370  -0.862   3.288  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.990  -0.456  -1.112  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.416  -1.359  -2.196  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1        0.237  -0.772  -3.296  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        0.757  -1.553  -4.330  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        0.630  -2.938  -4.284  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -0.013  -3.540  -3.205  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -0.532  -2.757  -2.169  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -1.834  -1.110   0.029  0.00  0.00    +0.108 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.342  -0.144   1.038  0.00  0.00    -0.312 NA
ATOM     27  H   LIG    1       -2.637  -0.674   1.859  0.00  0.00    +0.122 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -3.485   0.629   0.534  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.021   1.593   1.605  0.00  0.00    +0.174 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -6.339   1.771   1.100  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1       -5.072   2.415   1.093  0.00  0.00    -0.382 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 9