REMARK  Name = BDB004617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.613   0.935   1.471  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.858   0.377   1.107  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.094  -0.956   1.498  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.324  -1.538   1.127  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        5.291  -0.812   0.405  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        5.058   0.504   0.041  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        2.163  -1.634   2.206  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.033  -0.996   2.529  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        3.851   1.093   0.391  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.720   0.256   2.205  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        4.701  -2.948   1.465  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        5.790  -3.415   1.147  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        3.802  -3.719   2.139  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.053  -4.665   2.387  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        2.905  -3.339   2.429  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1        1.311   2.260   1.089  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        1.468   2.348   0.089  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -0.014   2.768   1.439  0.00  0.00    +0.138 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -2.716   1.170  -0.744  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -1.827   1.412   0.307  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -0.992   2.539   0.309  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1       -1.055   3.425  -0.774  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -1.943   3.192  -1.824  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -2.773   2.067  -1.810  0.00  0.00    +0.045 A 
BRANCH  19  25
ATOM     25  O   LIG    1       -3.466   0.036  -0.604  0.00  0.00    -0.490 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.310  -0.330  -1.697  0.00  0.00    +0.257 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.017  -1.647  -1.361  0.00  0.00    +0.200 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -3.563  -3.212  -2.429  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1       -4.129  -2.759  -1.209  0.00  0.00    -0.380 OA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 8