REMARK  Name = BDB021961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.255   1.017  -1.496  0.00  0.00    -0.266 N 
ATOM      2  H   LIG    1       -1.564   0.160  -1.063  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -0.431   1.838  -0.766  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1        0.286   1.198   0.255  0.00  0.00    -0.275 N 
ATOM      5  O   LIG    1       -0.325   3.047  -0.961  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.334  -0.273   0.473  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1       -0.707  -0.695   1.524  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -0.409  -2.079   2.085  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        0.920  -2.155   2.692  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1        1.268  -3.053   3.693  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1        2.370  -3.048   4.240  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1        0.223  -4.061   4.103  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        1.937  -1.212   2.220  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        1.731  -0.858   0.753  0.00  0.00    +0.041 C 
ENDBRANCH   4   6
BRANCH   1  16
ATOM     15  C   LIG    1       -2.964   0.382  -3.064  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1       -1.997   1.328  -2.657  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1       -1.800   2.485  -3.413  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -2.566   2.713  -4.558  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.526   1.785  -4.955  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.725   0.620  -4.212  0.00  0.00    +0.047 A 
BRANCH  15  21
ATOM     21  O   LIG    1       -3.073  -0.729  -2.258  0.00  0.00    -0.490 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -3.969  -2.836  -1.612  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -4.034  -1.714  -2.634  0.00  0.00    +0.226 C 
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  16
BRANCH   4  24
ATOM     24  C   LIG    1        0.940   2.087   1.226  0.00  0.00    +0.183 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.347   2.374   0.846  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1        3.310   1.953   1.718  0.00  0.00    -0.463 OA
ATOM     27  C   LIG    1        4.514   2.312   1.192  0.00  0.00    +0.102 A 
ATOM     28  C   LIG    1        5.705   1.942   1.980  0.00  0.00    +0.086 C 
ATOM     29  C   LIG    1        4.332   2.967  -0.006  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        2.935   3.011  -0.228  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 6