REMARK  Name = BDB051182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.369   0.879  -0.074  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.628  -0.433  -0.009  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.905  -0.837   0.067  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.926   0.092   0.097  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -2.596   1.431   0.012  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -1.319   1.817  -0.081  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.176  -2.200   0.166  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -3.334  -2.759  -0.552  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -2.976  -4.063  -1.305  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -2.317  -5.114  -0.503  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -3.277  -6.069   0.043  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -1.488  -4.532   0.578  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.010  -3.089   0.300  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        0.929   1.379  -0.146  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        0.868   2.388  -0.114  0.00  0.00    +0.155 HD
BRANCH  14  19
ATOM     16  C   LIG    1        4.838  -0.243  -0.141  0.00  0.00    +0.101 A 
ATOM     17  C   LIG    1        4.625   1.135  -0.195  0.00  0.00    +0.136 A 
ATOM     18  C   LIG    1        3.321   1.649  -0.175  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        2.201   0.803  -0.138  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        2.431  -0.576  -0.115  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.731  -1.099  -0.111  0.00  0.00    +0.020 A 
BRANCH  16  22
ATOM     22  C   LIG    1        6.210  -0.804  -0.160  0.00  0.00    +0.342 C 
ATOM     23  O   LIG    1        7.133  -0.371  -0.829  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1        7.552  -2.478   0.758  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        6.262  -1.871   0.680  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  16  22
BRANCH  17  26
ATOM     26  O   LIG    1        5.674   2.017  -0.164  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1        5.924   2.543  -1.469  0.00  0.00    +0.277 C 
ENDBRANCH  17  26
ENDBRANCH  14  19
ENDBRANCH   1  14
BRANCH   5  28
ATOM     28  N   LIG    1       -3.647   2.378   0.058  0.00  0.00    -0.283 N 
ATOM     29  H   LIG    1       -4.430   2.065  -0.499  0.00  0.00    +0.155 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.562   3.704   0.314  0.00  0.00    +0.146 A 
ATOM     31  N   LIG    1       -2.592   4.356   0.958  0.00  0.00    -0.158 NA
ATOM     32  N   LIG    1       -2.986   5.635   0.968  0.00  0.00    -0.280 N 
ATOM     33  H   LIG    1       -2.377   6.316   1.409  0.00  0.00    +0.189 HD
ATOM     34  C   LIG    1       -4.196   5.842   0.371  0.00  0.00    +0.035 A 
ATOM     35  C   LIG    1       -4.821   7.178   0.284  0.00  0.00    +0.065 C 
ATOM     36  C   LIG    1       -4.600   4.598  -0.059  0.00  0.00    +0.068 A 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 8