REMARK  Name = BDB055466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.667  -0.302   0.103  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1       -1.901  -1.413   0.819  0.00  0.00    -0.200 NA
ATOM      3  C   LIG    1       -0.850  -2.106   1.256  0.00  0.00    +0.215 A 
ATOM      4  N   LIG    1        0.424  -1.770   1.065  0.00  0.00    -0.215 NA
ATOM      5  C   LIG    1        0.661  -0.660   0.338  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -0.373   0.102  -0.171  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.088  -0.326   0.123  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        2.505   1.034   0.057  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        3.881   1.231  -0.152  0.00  0.00    +0.095 A 
ATOM     10  C   LIG    1        4.777   0.110  -0.283  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        6.032   0.622  -0.480  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1        5.851   1.980  -0.441  0.00  0.00    -0.263 N 
ATOM     13  H   LIG    1        6.564   2.693  -0.529  0.00  0.00    +0.190 HD
ATOM     14  C   LIG    1        4.439  -1.236  -0.222  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        4.574   2.377  -0.262  0.00  0.00    -0.172 NA
ATOM     16  C   LIG    1        3.050  -1.399  -0.011  0.00  0.00    +0.011 A 
BRANCH  11  17
ATOM     17  N   LIG    1        7.247   0.064  -0.668  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        8.032   0.590  -1.043  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        7.314  -0.932  -0.871  0.00  0.00    +0.144 HD
ENDBRANCH  11  17
ENDBRANCH   5   7
BRANCH   1  22
ATOM     20  C   LIG    1       -4.137  -1.246  -1.554  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1       -4.063  -0.246  -0.400  0.00  0.00    +0.097 C 
ATOM     22  N   LIG    1       -2.743   0.447  -0.411  0.00  0.00    -0.308 N 
ATOM     23  C   LIG    1       -2.793   1.840   0.093  0.00  0.00    +0.135 C 
ATOM     24  C   LIG    1       -3.948   2.016   1.091  0.00  0.00    +0.179 C 
ATOM     25  O   LIG    1       -5.238   1.757   0.518  0.00  0.00    -0.376 OA
ATOM     26  C   LIG    1       -5.196   0.798  -0.552  0.00  0.00    +0.182 C 
ENDBRANCH   1  22
BRANCH   3  27
ATOM     27  N   LIG    1       -1.100  -3.234   2.010  0.00  0.00    -0.327 N 
ATOM     28  H   LIG    1       -0.314  -3.413   2.619  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -2.012  -3.158   2.438  0.00  0.00    +0.145 HD
ENDBRANCH   3  27
TORSDOF 4