REMARK  Name = BDB007665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.256   0.416  -0.514  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.507  -0.097   0.297  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.098  -1.047   1.208  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.709  -1.347   1.956  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.927   0.332   0.362  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        2.935  -0.498   0.859  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1        4.245  -0.031   0.884  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1        4.561   1.193   0.428  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1        3.579   1.974  -0.071  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1        2.256   1.593  -0.126  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  N   LIG    1        5.244  -0.901   1.354  0.00  0.00    -0.323 N 
ATOM     12  H   LIG    1        4.985  -1.219   2.283  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        6.607  -0.346   1.371  0.00  0.00    +0.158 C 
BRANCH  13  14
ATOM     14  C   LIG    1        7.326  -0.338   0.032  0.00  0.00    +0.058 A 
ATOM     15  N   LIG    1        8.418   0.471  -0.060  0.00  0.00    -0.258 NA
ATOM     16  C   LIG    1        9.100   0.473  -1.226  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        8.770  -0.313  -2.315  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        7.672  -1.155  -2.204  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        6.944  -1.175  -1.017  0.00  0.00    +0.025 A 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1       -1.279  -1.528   1.228  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.242  -0.516   1.872  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.782  -0.258   3.213  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -0.942   0.223   3.111  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.697  -1.044   1.949  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.629  -0.741   0.850  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.023   0.679   0.842  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.958   1.041  -0.295  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.056   0.228  -1.438  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -6.905   0.601  -2.489  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.632   1.788  -2.418  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.523   2.607  -1.297  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.301  -1.075  -1.499  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.688   2.238  -0.241  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.157  -1.146  -0.476  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 9