REMARK  Name = BDB045501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.175  -1.453   0.100  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1        0.726  -2.061   0.971  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        2.035  -1.579   1.079  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        2.457  -0.495   0.306  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.549   0.095  -0.585  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        0.239  -0.384  -0.694  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.756   0.053   0.352  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        3.923   0.827  -0.277  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        4.819  -0.357   1.145  0.00  0.00    +0.236 C 
ATOM     10  O   LIG    1        4.799  -1.268   1.967  0.00  0.00    -0.274 OA
BRANCH   9  11
ATOM     11  CA  LIG    1        6.096   0.481   0.947  0.00  0.00    +0.164 C 
BRANCH  11  12
ATOM     12  N   LIG    1        5.863   1.903   1.327  0.00  0.00    -0.318 NA
ATOM     13  H1  LIG    1        4.999   2.246   0.911  0.00  0.00    +0.119 HD
ATOM     14  H2  LIG    1        5.696   1.926   2.338  0.00  0.00    +0.119 HD
ENDBRANCH  11  12
BRANCH  11  15
ATOM     15  C   LIG    1        6.632   0.392  -0.487  0.00  0.00    +0.183 C 
BRANCH  15  16
ATOM     16  O   LIG    1        7.729   1.293  -0.651  0.00  0.00    -0.393 OA
ATOM     17  H   LIG    1        7.538   2.043  -0.050  0.00  0.00    +0.209 HD
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   9  11
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  O   LIG    1       -1.435  -1.999   0.019  0.00  0.00    -0.456 OA
BRANCH  18  24
ATOM     19  C   LIG    1       -5.720  -0.319  -1.869  0.00  0.00    +0.098 A 
ATOM     20  C   LIG    1       -4.583  -0.445  -1.017  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -4.707   0.531  -0.025  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -3.767   0.701   0.998  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -2.659  -0.152   1.006  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -2.498  -1.122   0.016  0.00  0.00    +0.129 A 
ATOM     25  N   LIG    1       -5.876   1.215  -0.277  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1       -6.220   1.986   0.276  0.00  0.00    +0.167 HD
ATOM     27  C   LIG    1       -3.458  -1.296  -0.987  0.00  0.00    +0.057 A 
ATOM     28  C   LIG    1       -6.502   0.710  -1.386  0.00  0.00    +0.112 A 
BRANCH  28  29
ATOM     29  N   LIG    1       -7.665   1.245  -1.802  0.00  0.00    -0.344 N 
ATOM     30  H   LIG    1       -8.222   1.879  -1.234  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -8.210   0.801  -2.542  0.00  0.00    +0.144 HD
ENDBRANCH  28  29
BRANCH  19  33
ATOM     32  N   LIG    1       -6.247  -1.758  -3.957  0.00  0.00    -0.191 NA
ATOM     33  C   LIG    1       -6.009  -1.112  -3.022  0.00  0.00    +0.103 C 
ENDBRANCH  19  33
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 9