REMARK  Name = BDB002382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.087  -0.785   1.781  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.941  -1.371   2.276  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.445  -1.046   1.939  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.250  -1.747   3.035  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.421  -2.995   3.323  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -1.014  -2.509   3.176  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -3.208  -1.211   2.080  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.855  -1.580   0.544  0.00  0.00    +0.238 C 
ATOM      9  N   LIG    1        2.048  -1.035   0.107  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1        2.564  -0.403   0.719  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        0.180  -2.405  -0.057  0.00  0.00    -0.273 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.695  -1.209  -1.141  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1        3.917  -0.532  -1.286  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1        4.609  -0.649  -2.509  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.824   0.030  -2.646  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        6.315   0.794  -1.593  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        5.578   0.860  -0.420  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        6.075   1.679   0.734  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1        4.079  -1.425  -3.551  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.864  -2.084  -3.388  0.00  0.00    +0.003 A 
ATOM     21  N   LIG    1        4.399   0.212  -0.259  0.00  0.00    -0.250 NA
ATOM     22  C   LIG    1        2.171  -1.976  -2.184  0.00  0.00    +0.025 A 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  23
ATOM     23  C   LIG    1       -1.938   0.484   0.907  0.00  0.00    +0.162 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.876   0.279  -1.374  0.00  0.00    +0.230 C 
ATOM     25  N   LIG    1       -3.053   0.525  -0.028  0.00  0.00    -0.302 N 
ATOM     26  H   LIG    1       -3.985   0.343   0.343  0.00  0.00    +0.150 HD
ATOM     27  O   LIG    1       -1.774   0.277  -1.915  0.00  0.00    -0.274 OA
BRANCH  24  28
ATOM     28  C   LIG    1       -4.185  -0.044  -2.125  0.00  0.00    +0.137 C 
ATOM     29  C   LIG    1       -3.954  -0.226  -3.621  0.00  0.00    +0.034 C 
BRANCH  28  31
ATOM     30  C   LIG    1       -4.947   2.304  -2.118  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -5.274   0.915  -1.812  0.00  0.00    -0.309 NA
ATOM     32  H   LIG    1       -6.094   0.650  -2.352  0.00  0.00    +0.122 HD
ENDBRANCH  28  31
ENDBRANCH  24  28
ENDBRANCH  23  25
BRANCH  23  33
ATOM     33  C   LIG    1       -1.855   1.756   1.785  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1       -3.155   2.071   2.534  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -1.433   2.968   0.946  0.00  0.00    +0.009 C 
ENDBRANCH  23  33
ENDBRANCH   1  23
TORSDOF 7