REMARK  Name = BDB007843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.606   0.823   1.321  0.00  0.00    -0.279 N 
ATOM      2  C   LIG    1       -2.483  -0.201   0.951  0.00  0.00    +0.314 C 
ATOM      3  O   LIG    1       -3.659  -0.170   1.318  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1       -1.928  -1.231   0.159  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -0.525  -1.284  -0.123  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1        0.251  -0.150   0.073  0.00  0.00    +0.082 A 
ATOM      7  N   LIG    1        1.593  -0.084  -0.151  0.00  0.00    -0.233 NA
ATOM      8  C   LIG    1        2.224  -1.195  -0.551  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        1.542  -2.390  -0.740  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        0.163  -2.434  -0.519  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1       -0.447   1.103   0.496  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.766  -2.289  -0.327  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -2.683  -2.712  -1.666  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -3.507  -3.732  -2.150  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.434  -4.338  -1.306  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.544  -3.917   0.017  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.721  -2.896   0.500  0.00  0.00    +0.024 A 
ENDBRANCH   4  12
BRANCH   8  18
ATOM     18  N   LIG    1        3.597  -1.196  -0.789  0.00  0.00    -0.269 N 
ATOM     19  H   LIG    1        4.021  -2.068  -1.077  0.00  0.00    +0.156 HD
ATOM     20  C   LIG    1        4.517  -0.198  -0.683  0.00  0.00    +0.235 C 
ATOM     21  O   LIG    1        5.691  -0.491  -0.954  0.00  0.00    -0.274 OA
BRANCH  20  22
ATOM     22  C   LIG    1        4.135   1.244  -0.278  0.00  0.00    +0.137 C 
ATOM     23  C   LIG    1        3.612   1.992  -1.503  0.00  0.00    +0.034 C 
BRANCH  22  24
ATOM     24  N   LIG    1        5.337   1.975   0.212  0.00  0.00    -0.309 NA
ATOM     25  H   LIG    1        6.114   1.714  -0.404  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1        5.684   1.578   1.573  0.00  0.00    +0.101 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   8  18
BRANCH   1  27
ATOM     27  C   LIG    1       -2.124   1.920   2.136  0.00  0.00    +0.109 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -3.405   4.088   2.200  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -2.844   2.990   1.312  0.00  0.00    +0.016 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 6