REMARK  Name = BDB023928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.517   6.448   0.145  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -3.445   5.007   0.178  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -4.169   4.525  -0.333  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -2.220   4.393   0.086  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -2.270   3.007   0.081  0.00  0.00    -0.281 N 
ATOM      6  C   LIG    1       -0.961   2.335  -0.036  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -1.146   0.892  -0.358  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -0.208  -0.125  -0.689  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.828  -1.310  -0.832  0.00  0.00    -0.170 NA
ATOM     10  N   LIG    1       -2.136  -1.052  -0.640  0.00  0.00    -0.264 N 
ATOM     11  C   LIG    1       -2.366   0.250  -0.318  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.653   0.906   0.016  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -3.354   2.239   0.734  0.00  0.00    +0.116 C 
ATOM     14  O   LIG    1       -1.172   5.027   0.001  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -3.109  -2.135  -0.754  0.00  0.00    +0.112 C 
ATOM     16  C   LIG    1       -2.926  -2.959  -2.039  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -2.218  -4.267  -1.730  0.00  0.00    +0.162 C 
ATOM     18  O   LIG    1       -2.979  -5.081  -0.835  0.00  0.00    -0.380 OA
ATOM     19  C   LIG    1       -3.675  -4.380   0.194  0.00  0.00    +0.162 C 
ATOM     20  C   LIG    1       -3.087  -3.014   0.503  0.00  0.00    +0.055 C 
ENDBRANCH  10  15
BRANCH   8  21
ATOM     21  C   LIG    1        1.241  -0.022  -0.837  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        2.072  -0.976  -0.234  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1        3.459  -0.875  -0.349  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1        4.030   0.151  -1.105  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        3.209   1.095  -1.721  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        1.821   1.010  -1.587  0.00  0.00    +0.010 A 
BRANCH  23  27
ATOM     27  O   LIG    1        4.210  -1.862   0.248  0.00  0.00    -0.456 OA
BRANCH  27  28
ATOM     28  C   LIG    1        5.304  -1.465   0.983  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1        6.487  -2.179   0.792  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        7.625  -1.850   1.530  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.573  -0.817   2.467  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.383  -0.119   2.675  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        5.243  -0.447   1.938  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH   8  21
TORSDOF 4