REMARK  Name = BDB021911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.899   1.255   0.294  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        1.498   0.632   1.159  0.00  0.00    +0.305 C 
ATOM      3  N   LIG    1        0.835  -0.077   2.155  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        1.319  -0.908   2.461  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        2.860   0.525   1.333  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1        3.184   0.218   2.234  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.625  -0.147   2.167  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1       -1.158  -1.116   1.113  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -2.692  -1.141   1.121  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -3.286  -0.918   2.452  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1       -2.411  -1.382   3.524  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -1.129  -0.543   3.564  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -4.632  -1.504   2.558  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.644  -0.870   1.628  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1       -6.359  -1.652   0.709  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -7.301  -1.065  -0.138  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.540   0.307  -0.074  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.840   1.094   0.838  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.898   0.509   1.685  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  20
ATOM     20  C   LIG    1        3.815   1.017   0.472  0.00  0.00    +0.148 A 
ATOM     21  N   LIG    1        3.583   1.509  -0.744  0.00  0.00    -0.156 NA
ATOM     22  N   LIG    1        4.797   1.847  -1.218  0.00  0.00    -0.264 N 
ATOM     23  C   LIG    1        5.808   1.579  -0.340  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        5.202   1.032   0.766  0.00  0.00    +0.065 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.915   2.465  -2.528  0.00  0.00    +0.198 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.229   1.440  -3.585  0.00  0.00    +0.063 A 
ATOM     27  N   LIG    1        6.467   1.484  -4.146  0.00  0.00    -0.258 NA
ATOM     28  C   LIG    1        6.750   0.567  -5.098  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        5.859  -0.401  -5.528  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        4.597  -0.434  -4.948  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        4.273   0.497  -3.966  0.00  0.00    +0.025 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   5  20
TORSDOF 6