REMARK  Name = BDB045500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.315  -0.393   1.623  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -0.032  -1.237   0.550  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        1.202  -1.140  -0.101  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        2.166  -0.215   0.323  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.880   0.606   1.416  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        0.645   0.512   2.068  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.382  -0.183  -0.393  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        3.446  -0.830  -1.171  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        4.468   0.649  -0.175  0.00  0.00    +0.236 C 
ATOM     10  O   LIG    1        4.558   1.525   0.683  0.00  0.00    -0.274 OA
BRANCH   9  11
ATOM     11  CA  LIG    1        5.631   0.377  -1.147  0.00  0.00    +0.164 C 
BRANCH  11  12
ATOM     12  N   LIG    1        6.595   1.512  -1.150  0.00  0.00    -0.318 NA
ATOM     13  H1  LIG    1        6.817   1.715  -0.168  0.00  0.00    +0.119 HD
ATOM     14  H2  LIG    1        6.082   2.350  -1.440  0.00  0.00    +0.119 HD
ENDBRANCH  11  12
BRANCH  11  15
ATOM     15  C   LIG    1        6.363  -0.908  -0.746  0.00  0.00    +0.183 C 
BRANCH  15  16
ATOM     16  O   LIG    1        7.483  -1.109  -1.607  0.00  0.00    -0.393 OA
ATOM     17  H   LIG    1        7.864  -0.213  -1.732  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       -1.495  -0.453   2.329  0.00  0.00    -0.456 OA
BRANCH  18  24
ATOM     19  C   LIG    1       -4.741   0.998  -1.236  0.00  0.00    +0.098 A 
ATOM     20  C   LIG    1       -4.157   0.304  -0.136  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -5.094  -0.637   0.295  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -4.863  -1.503   1.371  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -3.630  -1.408   2.023  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -2.666  -0.493   1.603  0.00  0.00    +0.129 A 
ATOM     25  N   LIG    1       -6.198  -0.510  -0.518  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1       -7.032  -1.072  -0.444  0.00  0.00    +0.167 HD
ATOM     27  C   LIG    1       -2.920   0.386   0.541  0.00  0.00    +0.057 A 
ATOM     28  C   LIG    1       -6.002   0.478  -1.446  0.00  0.00    +0.112 A 
BRANCH  28  29
ATOM     29  N   LIG    1       -6.968   0.759  -2.342  0.00  0.00    -0.344 N 
ATOM     30  H   LIG    1       -6.895   1.574  -2.951  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -7.923   0.420  -2.255  0.00  0.00    +0.144 HD
ENDBRANCH  28  29
BRANCH  19  33
ATOM     32  N   LIG    1       -3.650   2.901  -2.613  0.00  0.00    -0.191 NA
ATOM     33  C   LIG    1       -4.138   2.047  -1.996  0.00  0.00    +0.103 C 
ENDBRANCH  19  33
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 9