REMARK  Name = BDB048152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.376  -0.581   0.921  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1       -1.437   0.011   0.256  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1       -2.632  -0.613   0.189  0.00  0.00    -0.216 NA
ATOM      4  C   LIG    1       -2.783  -1.799   0.820  0.00  0.00    +0.136 A 
ATOM      5  N   LIG    1       -1.810  -2.396   1.534  0.00  0.00    -0.239 NA
ATOM      6  C   LIG    1       -0.620  -1.765   1.573  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.162  -2.453   0.785  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -4.851  -2.202  -0.570  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1       -4.063  -3.977   0.992  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -5.015  -1.845   1.910  0.00  0.00    +0.019 C 
ENDBRANCH   4   7
BRANCH   1  12
ATOM     11  N   LIG    1        1.946  -0.311   0.123  0.00  0.00    -0.293 N 
ATOM     12  C   LIG    1        0.940   0.045   1.027  0.00  0.00    +0.252 C 
ATOM     13  O   LIG    1        1.079   0.861   1.935  0.00  0.00    -0.270 OA
BRANCH  11  14
ATOM     14  C   LIG    1        3.258   0.365   0.206  0.00  0.00    +0.090 C 
ATOM     15  C   LIG    1        3.958   0.250   1.580  0.00  0.00    +0.103 C 
ATOM     16  N   LIG    1        5.346   0.744   1.552  0.00  0.00    -0.314 NA
ATOM     17  H   LIG    1        5.623   0.968   2.509  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        5.530   1.920   0.697  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1        4.248   2.703   0.425  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1        3.183   1.834  -0.248  0.00  0.00    +0.025 C 
ENDBRANCH  11  14
BRANCH  11  21
ATOM     21  C   LIG    1        1.700  -1.135  -1.071  0.00  0.00    +0.108 C 
BRANCH  21  23
ATOM     22  C   LIG    1        3.456  -2.959  -0.721  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        1.979  -2.625  -0.858  0.00  0.00    +0.016 C 
ENDBRANCH  21  23
ENDBRANCH  11  21
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  N   LIG    1       -1.259   1.224  -0.433  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1       -0.773   1.891   0.170  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.487   1.824  -0.949  0.00  0.00    +0.177 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.248   3.151  -1.587  0.00  0.00    +0.122 A 
ATOM     28  O   LIG    1       -2.073   4.211  -0.744  0.00  0.00    -0.466 OA
ATOM     29  C   LIG    1       -1.861   5.304  -1.520  0.00  0.00    +0.195 A 
ATOM     30  C   LIG    1       -1.893   4.963  -2.852  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -2.140   3.570  -2.897  0.00  0.00    +0.046 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   2  24
TORSDOF 8