REMARK  Name = BDB045605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.355   1.101   0.253  0.00  0.00    +0.249 C 
ATOM      2  N   LIG    1        1.673   1.009   0.656  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        1.893   1.385   1.570  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.151   0.680  -0.777  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.740   0.412  -0.045  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        3.997   0.412   0.571  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        5.136  -0.166  -0.050  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        4.980  -0.775  -1.312  0.00  0.00    +0.073 A 
ATOM      9  N   LIG    1        5.984  -1.386  -1.960  0.00  0.00    -0.252 NA
ATOM     10  C   LIG    1        7.193  -1.455  -1.363  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        7.447  -0.882  -0.126  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        8.276  -2.194  -2.089  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1        3.730  -0.757  -1.912  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        6.433  -0.173   0.519  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1        2.617  -0.172  -1.299  0.00  0.00    +0.025 A 
BRANCH  14  16
ATOM     16  N   LIG    1        6.694   0.336   1.810  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1        7.680   0.504   1.986  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1        6.137   1.150   2.045  0.00  0.00    +0.142 HD
ENDBRANCH  14  16
ENDBRANCH   2   5
BRANCH   1  20
ATOM     19  C   LIG    1       -1.579   1.129   1.867  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -0.512   1.794   1.235  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -0.233   3.142   1.511  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -1.005   3.838   2.438  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.049   3.190   3.092  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.330   1.849   2.814  0.00  0.00    +0.008 A 
BRANCH  19  25
ATOM     25  C   LIG    1       -1.872  -0.338   1.618  0.00  0.00    +0.265 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -3.236  -0.690   1.879  0.00  0.00    -0.487 OA
BRANCH  26  30
ATOM     27  C   LIG    1       -6.248  -0.251  -0.986  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -4.963   0.220  -1.283  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -3.923   0.095  -0.355  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -4.153  -0.510   0.880  0.00  0.00    +0.121 A 
ATOM     31  C   LIG    1       -5.434  -0.982   1.177  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -6.474  -0.858   0.253  0.00  0.00    +0.007 A 
BRANCH  27  34
ATOM     33  C   LIG    1       -7.412  -1.333  -2.926  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -7.360  -0.130  -1.996  0.00  0.00    +0.032 C 
ENDBRANCH  27  34
ENDBRANCH  26  30
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH   1  20
TORSDOF 7