REMARK  Name = BDB017428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.074   1.924   0.473  0.00  0.00    +0.102 A 
ATOM      2  C   LIG    1       -1.139   1.595  -0.213  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.076   2.512   0.246  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -3.411   2.525  -0.178  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -3.834   1.562  -1.113  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.882   0.654  -1.607  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -1.396   3.312   1.119  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -1.758   4.101   1.642  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -1.548   0.652  -1.174  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -0.103   2.991   1.271  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.260   1.529  -1.613  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -6.177   0.349  -1.361  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -5.821  -0.902  -0.609  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -6.452  -1.980  -1.252  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -6.345  -3.289  -0.829  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -5.567  -3.530   0.304  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.931  -2.470   0.975  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -7.186  -1.508  -2.342  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -7.745  -2.072  -2.962  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -5.059  -1.151   0.523  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -7.088  -0.133  -2.466  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1       -7.623   0.578  -3.300  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -6.426   1.650  -0.652  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  27
ATOM     24  C   LIG    1        3.921   0.144   0.232  0.00  0.00    +0.121 A 
ATOM     25  N   LIG    1        3.797   1.485   0.328  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        2.547   2.013   0.415  0.00  0.00    +0.123 A 
ATOM     27  C   LIG    1        1.374   1.272   0.387  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        1.511  -0.109   0.283  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        2.788  -0.672   0.200  0.00  0.00    +0.044 A 
BRANCH  24  34
ATOM     30  C   LIG    1        8.376  -0.312   2.039  0.00  0.00    +0.105 C 
ATOM     31  N   LIG    1        8.017  -1.055   0.833  0.00  0.00    -0.302 NA
ATOM     32  C   LIG    1        7.635  -0.145  -0.272  0.00  0.00    +0.103 C 
ATOM     33  C   LIG    1        6.265   0.556  -0.109  0.00  0.00    +0.122 C 
ATOM     34  N   LIG    1        5.199  -0.441   0.131  0.00  0.00    -0.313 N 
ATOM     35  C   LIG    1        5.504  -1.339   1.264  0.00  0.00    +0.122 C 
ATOM     36  C   LIG    1        6.898  -1.991   1.084  0.00  0.00    +0.103 C 
ENDBRANCH  24  34
ENDBRANCH   1  27
TORSDOF 3