REMARK  Name = BDB000146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.602  -0.035   0.558  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.511  -0.531   1.199  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.837  -0.014   0.872  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        2.765  -0.606   1.939  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        1.823  -0.991   3.074  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.557  -1.417   2.348  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.508   0.892  -0.257  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.296  -0.482  -0.523  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        3.288   0.311  -1.073  0.00  0.00    -0.314 N 
ATOM     10  H   LIG    1        3.340   1.265  -0.745  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.881  -1.506  -1.062  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.751   0.050  -2.415  0.00  0.00    +0.107 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.977   0.830  -2.783  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1        5.987   1.308  -1.768  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        5.123   2.305  -2.495  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  16
ATOM     16  C   LIG    1       -1.968  -0.712   0.830  0.00  0.00    +0.162 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -3.002   0.212   0.359  0.00  0.00    -0.302 N 
ATOM     18  H   LIG    1       -2.860   0.539  -0.588  0.00  0.00    +0.150 HD
ATOM     19  C   LIG    1       -3.506   1.173   1.215  0.00  0.00    +0.230 C 
ATOM     20  O   LIG    1       -3.350   1.135   2.433  0.00  0.00    -0.274 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.318   2.286   0.522  0.00  0.00    +0.135 C 
ATOM     22  C   LIG    1       -5.698   1.771   0.137  0.00  0.00    +0.033 C 
BRANCH  21  23
ATOM     23  N   LIG    1       -3.613   2.794  -0.672  0.00  0.00    -0.320 NA
ATOM     24  H   LIG    1       -3.700   2.151  -1.454  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -2.617   2.893  -0.463  0.00  0.00    +0.119 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  16  17
BRANCH  16  27
ATOM     26  C   LIG    1       -2.006  -2.015  -1.390  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -2.062  -2.091   0.139  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -3.331  -2.830   0.576  0.00  0.00    +0.009 C 
ENDBRANCH  16  27
ENDBRANCH   1  16
TORSDOF 8