REMARK  Name = BDB001162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.895   0.703  -0.350  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.347   1.575  -1.265  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.582   1.095  -2.279  0.00  0.00    +0.099 C 
ATOM      4  C   LIG    1        0.757   2.248  -3.274  0.00  0.00    +0.013 C 
ATOM      5  C   LIG    1        2.241   2.273  -3.648  0.00  0.00    +0.007 C 
ATOM      6  C   LIG    1        2.849   1.031  -2.997  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        0.273   3.474  -2.496  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        1.996   0.810  -1.749  0.00  0.00    +0.095 C 
ATOM      9  C   LIG    1       -0.816   2.912  -1.594  0.00  0.00    +0.108 C 
ATOM     10  O   LIG    1       -0.564  -0.490  -0.329  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1        2.107  -0.524  -1.188  0.00  0.00    -0.294 N 
ATOM     12  H   LIG    1        1.246  -0.843  -0.745  0.00  0.00    +0.151 HD
ATOM     13  C   LIG    1        3.239  -0.910  -0.498  0.00  0.00    +0.308 C 
ATOM     14  N   LIG    1        3.152  -2.178   0.075  0.00  0.00    -0.243 N 
ATOM     15  C   LIG    1        2.137  -3.150  -0.347  0.00  0.00    +0.141 C 
ATOM     16  O   LIG    1        4.205  -0.153  -0.434  0.00  0.00    -0.252 OA
BRANCH  14  17
ATOM     17  C   LIG    1        4.052  -2.652   1.088  0.00  0.00    +0.128 A 
ATOM     18  N   LIG    1        3.866  -3.928   1.520  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        4.678  -4.420   2.483  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        5.692  -3.697   3.075  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        5.877  -2.391   2.653  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.051  -1.863   1.657  0.00  0.00    +0.044 A 
ENDBRANCH  14  17
ENDBRANCH   8  11
BRANCH   1  23
ATOM     23  C   LIG    1       -1.912   1.250   0.684  0.00  0.00    +0.164 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.029   0.289  -0.141  0.00  0.00    +0.230 C 
ATOM     25  N   LIG    1       -2.973   0.237   0.747  0.00  0.00    -0.302 N 
ATOM     26  H   LIG    1       -2.655  -0.685   1.017  0.00  0.00    +0.150 HD
ATOM     27  O   LIG    1       -4.233   1.276  -0.851  0.00  0.00    -0.274 OA
BRANCH  24  28
ATOM     28  C   LIG    1       -4.992  -0.932  -0.114  0.00  0.00    +0.137 C 
ATOM     29  C   LIG    1       -4.281  -2.284  -0.064  0.00  0.00    +0.034 C 
BRANCH  28  31
ATOM     30  C   LIG    1       -5.401  -1.171  -2.538  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -5.965  -0.841  -1.233  0.00  0.00    -0.309 NA
ATOM     32  H   LIG    1       -6.273   0.137  -1.270  0.00  0.00    +0.122 HD
ENDBRANCH  28  31
ENDBRANCH  24  28
ENDBRANCH  23  25
BRANCH  23  33
ATOM     33  C   LIG    1       -1.273   1.520   2.085  0.00  0.00    -0.011 C 
ATOM     34  C   LIG    1       -0.634   0.264   2.708  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -2.366   2.033   3.048  0.00  0.00    +0.013 C 
ATOM     36  C   LIG    1       -0.188   2.611   1.986  0.00  0.00    +0.013 C 
ENDBRANCH  23  33
ENDBRANCH   1  23
TORSDOF 7