REMARK  Name = BDB011634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.642   0.581   1.706  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.357   0.427   0.770  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.103   0.695  -0.182  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.505   0.469   2.919  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.672   0.098   0.938  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.621   0.278  -0.203  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        2.264   0.594  -1.328  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        3.898  -0.041   0.260  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        3.769  -0.550   1.585  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        4.805  -0.078   2.512  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        2.411  -0.420   1.934  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        1.951  -0.916   3.267  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        4.921  -0.615  -0.616  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        4.452  -1.901  -1.309  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        5.586  -2.573  -2.088  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        6.615  -1.588  -2.645  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        6.007  -0.218  -2.910  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.450   0.416  -1.633  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -3.447   1.082   3.225  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -3.184   1.172   1.766  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -4.082   1.480   0.750  0.00  0.00    +0.163 A 
ATOM     22  O   LIG    1       -3.379   1.457  -0.428  0.00  0.00    -0.354 OA
ATOM     23  N   LIG    1       -2.064   1.119  -0.214  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.937   0.946   1.109  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -5.453   1.833   0.839  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1       -6.434   1.370   0.047  0.00  0.00    -0.017 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.464   0.314  -1.055  0.00  0.00    -0.019 C 
ATOM     28  C   LIG    1       -7.911  -0.228  -1.145  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -6.114   0.964  -2.403  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -5.551  -0.900  -0.801  0.00  0.00    +0.015 C 
ENDBRANCH  26  27
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5