REMARK  Name = BDB013982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.569  -1.269   0.564  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1       -0.943  -2.082  -0.579  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.070  -2.849  -1.384  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1       -0.605  -3.585  -2.481  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -1.957  -3.592  -2.794  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.821  -2.859  -2.010  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.422  -3.062  -1.250  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        2.185  -2.338  -0.169  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        1.801  -0.875  -0.176  0.00  0.00    +0.160 C 
ATOM     10  C   LIG    1       -2.319  -2.127  -0.929  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        0.683  -0.719   0.842  0.00  0.00    +0.240 C 
ATOM     12  O   LIG    1        0.927  -0.106   1.894  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1        2.917  -0.033   0.249  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1        2.794   0.443   1.140  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        3.901   0.368  -0.630  0.00  0.00    +0.230 C 
ATOM     16  O   LIG    1        3.952  -0.059  -1.781  0.00  0.00    -0.274 OA
BRANCH  15  17
ATOM     17  C   LIG    1        4.885   1.394  -0.021  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.239   2.779  -0.076  0.00  0.00    +0.034 C 
BRANCH  17  19
ATOM     19  N   LIG    1        6.180   1.432  -0.730  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1        6.730   2.217  -0.388  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        6.940   0.202  -0.547  0.00  0.00    +0.101 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   9  13
BRANCH   1  22
ATOM     22  C   LIG    1       -1.605  -0.908   1.547  0.00  0.00    +0.153 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.126   1.344   0.366  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1       -2.456   0.346   1.308  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -3.638   0.520   2.113  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -4.447   1.671   1.921  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1       -5.615   1.863   2.678  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -6.007   0.938   3.642  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.229  -0.187   3.863  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.076   2.637   0.983  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1       -4.065  -0.390   3.115  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -2.920   2.485   0.228  0.00  0.00    +0.046 A 
BRANCH  23  33
ATOM     33  O   LIG    1       -0.965   1.251  -0.354  0.00  0.00    -0.492 OA
BRANCH  33  35
ATOM     34  C   LIG    1       -0.173   2.535  -2.216  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1       -1.103   1.423  -1.769  0.00  0.00    +0.225 C 
ENDBRANCH  33  35
ENDBRANCH  23  33
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 7