REMARK  Name = BDB046073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.903   0.058   0.192  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -3.017  -0.114  -0.628  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -2.998  -0.308  -2.072  0.00  0.00    +0.273 A 
ATOM      4  N   LIG    1       -4.205  -0.594  -2.686  0.00  0.00    -0.263 N 
ATOM      5  H   LIG    1       -4.049  -0.753  -3.679  0.00  0.00    +0.190 HD
ATOM      6  N   LIG    1       -5.354   0.194  -2.419  0.00  0.00    -0.263 N 
ATOM      7  H   LIG    1       -5.934   0.333  -3.246  0.00  0.00    +0.190 HD
ATOM      8  C   LIG    1       -6.161  -0.105  -1.339  0.00  0.00    +0.271 A 
ATOM      9  C   LIG    1       -5.563  -0.223   0.009  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -6.426  -0.314   1.119  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -5.930  -0.288   2.419  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.562  -0.152   2.655  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -3.715  -0.073   1.544  0.00  0.00    +0.048 A 
ATOM     14  O   LIG    1       -7.380  -0.148  -1.492  0.00  0.00    -0.266 OA
ATOM     15  O   LIG    1       -1.975  -0.340  -2.755  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -4.171  -0.135   0.226  0.00  0.00    +0.025 A 
ATOM     17  N   LIG    1       -2.353   0.078   1.491  0.00  0.00    -0.354 N 
ATOM     18  H   LIG    1       -1.751   0.154   2.300  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  22
ATOM     19  C   LIG    1        2.305   0.318  -0.545  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1        1.616   1.384   0.049  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        0.239   1.302   0.275  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -0.471   0.151  -0.086  0.00  0.00    -0.001 A 
ATOM     23  C   LIG    1        0.216  -0.917  -0.668  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        1.593  -0.836  -0.896  0.00  0.00    +0.005 A 
BRANCH  19  25
ATOM     25  C   LIG    1        3.794   0.412  -0.785  0.00  0.00    +0.116 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.524   0.289   0.474  0.00  0.00    -0.310 NA
ATOM     27  H   LIG    1        4.285  -0.600   0.912  0.00  0.00    +0.122 HD
BRANCH  26  29
ATOM     28  C   LIG    1        6.577   0.645   1.702  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1        5.976   0.406   0.316  0.00  0.00    +0.048 C 
ATOM     30  C   LIG    1        6.599  -0.843  -0.310  0.00  0.00    +0.023 C 
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 4