REMARK  Name = BDB003901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.043  -0.806  -0.824  0.00  0.00    -0.271 N 
ATOM      2  C   LIG    1       -1.353   0.501  -1.200  0.00  0.00    +0.221 C 
ATOM      3  O   LIG    1       -0.539   1.303  -1.669  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -2.795   0.978  -1.097  0.00  0.00    +0.112 C 
ATOM      5  C   LIG    1       -3.814   0.022  -0.470  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1       -3.685   0.064   1.060  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1       -2.636   0.355   1.629  0.00  0.00    -0.275 OA
ATOM      8  N   LIG    1       -4.740  -0.404   1.789  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1       -4.346  -0.655   2.694  0.00  0.00    +0.157 HD
ATOM     10  C   LIG    1       -5.686   0.513   2.152  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.865   0.758   3.344  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.563   1.123   1.082  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -5.851   1.579  -0.184  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -5.242   0.400  -0.938  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1       -3.501  -1.382  -0.986  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -2.086  -1.815  -0.636  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        2.663  -0.656  -0.009  0.00  0.00    +0.061 A 
ATOM     18  C   LIG    1        1.341  -0.267  -0.296  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        0.326  -1.208  -0.543  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        0.686  -2.565  -0.456  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        1.997  -2.965  -0.173  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        2.986  -2.014   0.046  0.00  0.00    +0.015 A 
BRANCH  17  23
ATOM     23  C   LIG    1        3.674   0.408   0.250  0.00  0.00    +0.340 C 
ATOM     24  O   LIG    1        3.395   1.586   0.391  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        4.915  -0.136   0.295  0.00  0.00    -0.455 OA
BRANCH  25  27
ATOM     26  C   LIG    1        6.265   1.719  -0.604  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.080   0.698   0.524  0.00  0.00    +0.106 C 
ATOM     28  C   LIG    1        6.024   1.367   1.901  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        7.266  -0.278   0.501  0.00  0.00    +0.055 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  19
TORSDOF 4