REMARK  Name = BDB062339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.761   0.237   0.613  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        1.079  -0.626   1.428  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1        0.448  -1.564   0.614  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.327  -2.545   1.259  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.402  -2.514   2.651  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.286  -1.524   3.338  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1        0.776  -1.248  -0.749  0.00  0.00    -0.001 A 
ATOM      8  N   LIG    1        1.043  -0.557   2.776  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        1.600  -0.132  -0.696  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        0.310  -1.987  -1.987  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1        1.121  -1.706  -3.255  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -1.143  -1.792  -2.185  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -1.619  -0.485  -2.433  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -0.875   0.496  -2.510  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -3.149  -0.314  -2.554  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -3.482   0.782  -3.427  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -4.901   0.979  -3.468  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -5.468   1.258  -2.069  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -5.154   0.172  -1.124  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -5.436   0.460  -0.187  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -3.691  -0.046  -1.134  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -1.903  -2.947  -2.629  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -1.752  -4.340  -2.071  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -2.981  -3.548  -1.761  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1        2.521   1.386   1.074  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.922   0.990   1.536  0.00  0.00    +0.040 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.710   2.187   2.049  0.00  0.00    +0.109 C 
BRANCH  27  29
ATOM     28  C   LIG    1        4.482   3.968   3.720  0.00  0.00    +0.400 C 
ATOM     29  N   LIG    1        4.152   2.726   3.267  0.00  0.00    -0.281 N 
ATOM     30  H   LIG    1        3.770   2.108   3.971  0.00  0.00    +0.152 HD
ATOM     31  O   LIG    1        5.130   4.799   3.103  0.00  0.00    -0.226 OA
BRANCH  28  33
ATOM     32  C   LIG    1        4.273   5.400   5.549  0.00  0.00    +0.282 C 
ATOM     33  O   LIG    1        3.989   4.125   4.972  0.00  0.00    -0.454 OA
ENDBRANCH  28  33
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9