REMARK  Name = BDB003642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.254   0.220  -1.667  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -1.596   1.118  -0.721  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1       -2.550   0.774   0.156  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -3.143  -0.432   0.136  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -2.807  -1.329  -0.812  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -1.841  -1.027  -1.749  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.916   1.687   1.134  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1       -2.491   3.068   0.941  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -2.883   3.913   2.151  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -4.390   3.888   2.406  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -5.049   2.580   1.959  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -4.077   1.402   1.975  0.00  0.00    +0.108 C 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1       -3.405  -2.615  -0.818  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -4.163  -2.886   0.416  0.00  0.00    +0.106 C 
ATOM     15  C   LIG    1       -4.602  -4.351   0.439  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -5.405  -4.704  -0.814  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -4.608  -4.354  -2.071  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -4.164  -2.888  -2.055  0.00  0.00    +0.106 C 
ENDBRANCH   5  13
BRANCH   1  19
ATOM     19  N   LIG    1       -0.222   0.564  -2.579  0.00  0.00    -0.248 N 
ATOM     20  H   LIG    1       -0.064  -0.185  -3.268  0.00  0.00    +0.172 HD
BRANCH  19  22
ATOM     21  C   LIG    1        2.071   0.047  -2.189  0.00  0.00    +0.260 C 
ATOM     22  N   LIG    1        0.972   0.820  -1.864  0.00  0.00    -0.231 N 
ATOM     23  H   LIG    1        0.923   1.567  -1.173  0.00  0.00    +0.173 HD
ATOM     24  O   LIG    1        2.045  -0.758  -3.123  0.00  0.00    -0.269 OA
BRANCH  21  28
ATOM     25  C   LIG    1        5.718   0.537   0.100  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        4.479   0.962   0.623  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.287   0.821  -0.104  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        3.305   0.247  -1.381  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        4.523  -0.200  -1.908  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        5.714  -0.043  -1.185  0.00  0.00    +0.005 A 
BRANCH  25  32
ATOM     31  C   LIG    1        8.291   0.239   0.199  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        7.006   0.705   0.931  0.00  0.00    -0.013 C 
ATOM     33  C   LIG    1        7.210   2.198   1.291  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1        6.881  -0.113   2.236  0.00  0.00    +0.015 C 
ENDBRANCH  25  32
ENDBRANCH  21  28
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 6