REMARK  Name = BDB007753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.523  -2.683  -0.305  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        0.787  -2.360  -0.027  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1        1.013  -1.362  -0.053  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.908  -3.816  -0.567  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.614  -0.624  -0.487  0.00  0.00    +0.123 A 
ATOM      6  N   LIG    1       -3.120   0.600  -0.235  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1       -1.803   0.696  -0.006  0.00  0.00    +0.224 A 
ATOM      8  N   LIG    1       -0.930  -0.313  -0.006  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -1.470  -1.524  -0.279  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -2.807  -1.738  -0.532  0.00  0.00    +0.076 A 
BRANCH   5  11
ATOM     11  N   LIG    1       -4.989  -0.772  -0.773  0.00  0.00    -0.324 N 
ATOM     12  H   LIG    1       -5.359  -1.561  -0.247  0.00  0.00    +0.148 HD
BRANCH  11  16
ATOM     13  C   LIG    1       -8.219   2.055  -0.074  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1       -7.734   0.720   0.283  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -6.310   0.784   0.684  0.00  0.00    +0.107 C 
ATOM     16  C   LIG    1       -5.888   0.357  -0.738  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -7.368  -0.035  -0.936  0.00  0.00    +0.107 C 
ENDBRANCH  11  16
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  C   LIG    1        1.879  -3.284  -0.273  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.164  -2.854   0.455  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.931  -2.779   1.866  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.991  -2.532   1.961  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.775  -1.535  -0.087  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.882  -0.350  -0.064  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.335   0.677  -1.028  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        4.552   1.467  -0.599  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        4.880   1.604   0.762  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        5.990   2.374   1.137  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.757   3.021   0.169  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.424   2.902  -1.178  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.079   0.878   1.815  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.325   2.133  -1.561  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        2.772   0.287   1.265  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8