REMARK  Name = BDB046599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.535  -1.038   0.305  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1       -0.933   0.379   0.782  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1       -2.247   0.289   1.551  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -3.189  -0.780   1.180  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -4.425  -0.810   1.812  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -4.704   0.184   2.860  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1       -3.691   1.073   3.136  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -3.872   1.779   3.844  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1       -5.777   0.199   3.452  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -5.370  -1.773   1.456  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -5.064  -2.696   0.456  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.811  -2.667  -0.167  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -2.840  -1.735   0.217  0.00  0.00    +0.037 A 
ATOM     14  N   LIG    1       -2.492   1.155   2.491  0.00  0.00    -0.175 NA
ATOM     15  N   LIG    1       -1.609  -1.694  -0.462  0.00  0.00    -0.336 N 
ATOM     16  H   LIG    1       -1.326  -2.607  -0.814  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        3.227  -1.215  -0.419  0.00  0.00    -0.033 A 
ATOM     18  C   LIG    1        1.988  -1.214   0.244  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        0.780  -1.076  -0.461  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1        0.832  -0.934  -1.855  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        2.054  -0.943  -2.527  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.244  -1.086  -1.814  0.00  0.00    +0.005 A 
BRANCH  17  23
ATOM     23  C   LIG    1        4.520  -1.351   0.359  0.00  0.00    +0.119 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.334   0.616   1.807  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        5.145  -0.108   0.835  0.00  0.00    -0.304 NA
ATOM     26  C   LIG    1        5.580   0.770  -0.246  0.00  0.00    +0.104 C 
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  19
BRANCH   2  27
ATOM     27  C   LIG    1       -0.977   1.473  -0.282  0.00  0.00    -0.036 A 
ATOM     28  C   LIG    1       -1.925   1.480  -1.316  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -1.928   2.495  -2.276  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -0.984   3.517  -2.218  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.036   3.526  -1.199  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.032   2.513  -0.238  0.00  0.00    +0.004 A 
ENDBRANCH   2  27
TORSDOF 4