REMARK  Name = BDB042662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.389  -0.017  -0.500  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        3.131   1.410  -0.811  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        1.899   1.593  -1.745  0.00  0.00    +0.074 C 
ATOM      4  N   LIG    1        0.663   0.954  -1.238  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        1.037  -0.476  -1.281  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1        1.507  -0.578  -2.740  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1        2.088   0.805  -3.049  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        2.192  -0.865  -0.310  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.655  -0.595   2.053  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        6.227   0.649   1.631  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        5.168   0.845   0.808  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        4.466  -0.226   0.367  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.859  -1.513   0.744  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        5.954  -1.701   1.593  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1        8.694  -0.835   3.627  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        7.781  -0.727   2.920  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  C   LIG    1        0.215   1.462   0.056  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.137   0.882   0.493  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.261   1.166  -0.511  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.584   0.619  -0.037  0.00  0.00    +0.021 A 
ATOM     21  N   LIG    1       -4.226   1.302   0.972  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -3.805   2.137   1.366  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -5.444   0.948   1.514  0.00  0.00    +0.258 A 
ATOM     24  O   LIG    1       -5.968   1.593   2.415  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -6.085  -0.257   0.952  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1       -5.439  -0.943  -0.070  0.00  0.00    +0.078 A 
ATOM     27  N   LIG    1       -5.944  -2.059  -0.650  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1       -7.139  -2.494  -0.186  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -7.853  -1.870   0.829  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -7.314  -0.726   1.411  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1       -4.151  -0.474  -0.572  0.00  0.00    +0.049 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 6