REMARK  Name = BDB012787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.793   0.600  -0.965  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.696  -0.042  -0.411  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.649   0.450  -0.690  0.00  0.00    +0.133 C 
ATOM      4  C   LIG    1       -1.570  -0.461   0.132  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -0.696  -0.815   1.340  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1        0.687  -0.966   0.718  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.646   1.608  -1.653  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1       -2.884   0.089   0.480  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1       -4.017  -0.680   0.182  0.00  0.00    +0.255 A 
ATOM     10  O   LIG    1       -3.959  -1.793  -0.342  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -5.375  -0.094   0.534  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -5.378   1.091   1.174  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -4.173   1.808   1.483  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -2.986   1.304   1.136  0.00  0.00    +0.089 A 
BRANCH  11  15
ATOM     15  C   LIG    1       -6.606  -0.852   0.223  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1       -6.973  -1.087  -1.222  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -7.802  -0.160  -0.387  0.00  0.00    +0.009 C 
ENDBRANCH  11  15
ENDBRANCH   4   8
BRANCH   1  22
ATOM     18  C   LIG    1        5.268  -0.298  -0.320  0.00  0.00    +0.066 A 
ATOM     19  N   LIG    1        4.712  -1.515  -0.366  0.00  0.00    -0.178 NA
ATOM     20  N   LIG    1        3.422  -1.272  -0.648  0.00  0.00    -0.272 N 
ATOM     21  H   LIG    1        2.812  -2.065  -0.807  0.00  0.00    +0.189 HD
ATOM     22  C   LIG    1        3.098   0.054  -0.696  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        4.302   0.713  -0.538  0.00  0.00    +0.057 A 
BRANCH  18  25
ATOM     24  C   LIG    1        7.013   0.629   1.223  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1        6.741  -0.147  -0.067  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1        7.451   0.514  -1.251  0.00  0.00    +0.014 C 
ENDBRANCH  18  25
ENDBRANCH   1  22
TORSDOF 4