REMARK  Name = BDB064576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.383   0.447  -0.086  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.489   0.920   0.845  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.348   1.735   0.440  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        0.015   2.519   1.696  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -0.341   1.549   2.823  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.585   0.829   2.294  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.263   0.730  -1.283  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.834   0.852  -0.008  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.817   1.534  -0.690  0.00  0.00    -0.302 N 
ATOM     10  H   LIG    1        1.635   2.468  -1.051  0.00  0.00    +0.150 HD
ATOM     11  O   LIG    1        0.939  -0.340   0.276  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.980   0.843  -1.250  0.00  0.00    +0.163 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.515   1.737  -2.383  0.00  0.00    +0.231 C 
ATOM     14  O   LIG    1        3.177   2.913  -2.518  0.00  0.00    -0.274 OA
ATOM     15  N   LIG    1        4.393   1.167  -3.256  0.00  0.00    -0.328 N 
ATOM     16  H   LIG    1        4.772   0.236  -3.127  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        4.783   1.747  -3.987  0.00  0.00    +0.145 HD
ENDBRANCH  12  13
BRANCH  12  18
ATOM     18  C   LIG    1        4.048   0.599  -0.172  0.00  0.00    +0.067 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.079  -0.436  -0.560  0.00  0.00    -0.045 A 
ATOM     20  C   LIG    1        6.408  -0.065  -0.805  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        7.349  -1.022  -1.186  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.974  -2.357  -1.319  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.657  -2.739  -1.066  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.714  -1.784  -0.685  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH  12  18
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  25
ATOM     25  O   LIG    1       -0.577   2.247   4.035  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1       -1.339   2.840   3.908  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1       -3.568  -0.425   0.404  0.00  0.00    +0.164 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -6.466   1.849  -0.487  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -5.407   1.214   0.372  0.00  0.00    +0.211 C 
ATOM     30  N   LIG    1       -4.756   0.160  -0.229  0.00  0.00    -0.304 N 
ATOM     31  H   LIG    1       -4.733   0.179  -1.243  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1       -5.148   1.621   1.501  0.00  0.00    -0.276 OA
ENDBRANCH  27  30
BRANCH  27  33
ATOM     33  C   LIG    1       -3.407  -1.942   0.071  0.00  0.00    -0.011 C 
ATOM     34  C   LIG    1       -4.649  -2.707   0.579  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -2.175  -2.520   0.793  0.00  0.00    +0.013 C 
ATOM     36  C   LIG    1       -3.257  -2.218  -1.438  0.00  0.00    +0.013 C 
ENDBRANCH  27  33
ENDBRANCH   1  27
TORSDOF 9