REMARK  Name = BDB001042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.101   0.033   0.304  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.284  -0.417   0.900  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -3.185  -1.207   0.172  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.862  -1.556  -1.149  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.690  -1.086  -1.748  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.813  -0.278  -1.027  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.676   1.951   1.527  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.202   0.906   1.085  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        1.123   0.519   1.286  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        1.994   1.493   1.959  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        3.475   1.089   2.129  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1        4.267   0.894   0.902  0.00  0.00    -0.297 NA
ATOM     13  C   LIG    1        3.517   0.376  -0.246  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1        2.696  -0.900  -0.038  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1        1.642  -0.832   1.065  0.00  0.00    +0.109 C 
BRANCH  12  16
ATOM     16  C   LIG    1        5.494   0.136   1.199  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.546   0.220   0.113  0.00  0.00    -0.033 A 
ATOM     18  C   LIG    1        7.026   1.465  -0.320  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        8.007   1.544  -1.309  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.524   0.378  -1.872  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        8.060  -0.865  -1.447  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        7.078  -0.946  -0.458  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1       -4.461  -1.695   0.818  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.703  -1.461  -0.033  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -6.288  -0.099  -0.142  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -7.417   0.044  -0.946  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -8.028   1.294  -1.104  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -7.504   2.409  -0.453  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.374   2.273   0.353  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.967  -1.137  -1.631  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -8.959  -1.058  -2.347  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -7.306  -2.321  -1.419  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -7.673  -3.146  -1.882  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -5.767   1.023   0.512  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -6.202  -2.496  -0.645  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5