REMARK  Name = BDB054466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.717   0.350  -0.906  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1        1.500   0.374  -1.546  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.236   0.185   0.381  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        2.580   0.118   0.430  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        3.063  -0.040   1.674  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        2.320  -0.135   2.833  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        3.269  -0.289   3.858  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1        4.525  -0.294   3.400  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1        0.946  -0.060   2.691  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        4.376  -0.139   2.059  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1        0.419   0.097   1.455  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1        5.551  -0.095   1.218  0.00  0.00    +0.110 C 
ATOM     13  C   LIG    1        5.629  -1.217   0.160  0.00  0.00    +0.030 C 
ATOM     14  C   LIG    1        6.460  -0.645  -0.956  0.00  0.00    -0.006 C 
ATOM     15  C   LIG    1        6.523   0.838  -0.792  0.00  0.00    -0.006 C 
ATOM     16  C   LIG    1        7.788   0.023  -0.706  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1        5.732   1.220   0.429  0.00  0.00    +0.030 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     18  C   LIG    1       -2.807   0.624  -1.548  0.00  0.00    +0.106 A 
ATOM     19  N   LIG    1       -2.221   0.719  -2.797  0.00  0.00    -0.344 N 
ATOM     20  C   LIG    1       -2.929   0.889  -4.049  0.00  0.00    +0.149 C 
ATOM     21  C   LIG    1       -0.857   0.603  -2.693  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1       -0.543   0.472  -1.363  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1       -1.756   0.508  -0.644  0.00  0.00    +0.055 A 
BRANCH  18  27
ATOM     24  C   LIG    1       -6.595   1.448   0.648  0.00  0.00    +0.028 C 
ATOM     25  C   LIG    1       -6.184   0.085   0.105  0.00  0.00    +0.073 C 
ATOM     26  N   LIG    1       -4.763  -0.003  -0.232  0.00  0.00    -0.294 N 
ATOM     27  C   LIG    1       -4.239   0.711  -1.304  0.00  0.00    +0.263 C 
ATOM     28  O   LIG    1       -4.972   1.386  -2.028  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1       -4.165  -1.199   0.348  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1       -5.354  -2.056   0.759  0.00  0.00    +0.021 C 
ATOM     31  C   LIG    1       -6.391  -1.016   1.151  0.00  0.00    +0.024 C 
ENDBRANCH  18  27
ENDBRANCH   1  22
TORSDOF 4