REMARK  Name = BDB048004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.091  -1.390  -0.420  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1        1.060  -1.037  -1.220  0.00  0.00    -0.215 NA
ATOM      3  C   LIG    1       -0.183  -1.295  -0.795  0.00  0.00    +0.216 A 
ATOM      4  N   LIG    1       -0.464  -1.872   0.379  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.577  -2.223   1.149  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        1.886  -2.005   0.799  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        6.855   0.024  -0.113  0.00  0.00    +0.049 A 
ATOM      8  N   LIG    1        7.732   0.137  -1.174  0.00  0.00    -0.270 N 
ATOM      9  C   LIG    1        9.115   0.555  -1.165  0.00  0.00    +0.172 C 
ATOM     10  N   LIG    1        7.210  -0.216  -2.368  0.00  0.00    -0.171 NA
ATOM     11  C   LIG    1        5.937  -0.542  -2.116  0.00  0.00    +0.093 A 
ATOM     12  C   LIG    1        4.929  -0.962  -2.994  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.691  -1.218  -2.360  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.442  -1.081  -0.944  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.471  -0.650  -0.061  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        5.685  -0.403  -0.708  0.00  0.00    +0.024 A 
BRANCH   7  18
ATOM     17  C   LIG    1        8.415  -0.369   1.857  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1        7.159   0.325   1.333  0.00  0.00    +0.032 C 
ATOM     19  C   LIG    1        7.185   1.829   1.607  0.00  0.00    +0.014 C 
ENDBRANCH   7  18
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  N   LIG    1       -1.194  -0.914  -1.659  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1       -0.778  -0.276  -2.328  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.456  -0.489  -1.064  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1       -3.503  -0.396  -2.179  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -4.886   0.015  -1.662  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1       -4.864   0.914  -0.410  0.00  0.00    +0.054 C 
ATOM     26  C   LIG    1       -3.564   1.733  -0.387  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1       -2.297   0.870  -0.356  0.00  0.00    +0.024 C 
BRANCH  25  28
ATOM     28  N   LIG    1       -4.962   0.101   0.810  0.00  0.00    -0.310 NA
ATOM     29  H   LIG    1       -4.302   0.433   1.515  0.00  0.00    +0.122 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -6.294   0.030   1.437  0.00  0.00    +0.058 C 
ATOM     31  C   LIG    1       -6.676   1.342   2.145  0.00  0.00    +0.047 C 
ATOM     32  C   LIG    1       -8.186   1.472   2.319  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1       -8.773   0.191   2.507  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -8.720  -0.615   1.327  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1       -7.426  -0.449   0.528  0.00  0.00    +0.047 C 
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 6