REMARK  Name = BDB009196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.353   3.001  -0.769  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.032   1.988  -1.464  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.428   2.036  -1.605  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -3.125   3.130  -1.072  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.448   4.147  -0.398  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.064   4.086  -0.248  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.649   1.713  -0.345  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        0.986   0.966  -0.191  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.127   2.969  -0.595  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        1.740   4.028  -0.650  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        4.609  -0.431   0.340  0.00  0.00    -0.040 A 
ATOM     12  C   LIG    1        3.291   0.030   0.157  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        3.007   1.366  -0.180  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        4.060   2.260  -0.345  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        5.375   1.831  -0.170  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.644   0.504   0.169  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1        3.697  -2.793   0.866  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1        4.939  -1.887   0.713  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1        5.695  -1.919   2.059  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        5.828  -2.514  -0.383  0.00  0.00    +0.015 C 
ENDBRANCH  11  18
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -3.157   0.957  -2.373  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.345   0.366  -1.618  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.107  -0.564  -0.469  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -2.715  -0.970  -0.074  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -2.679  -2.171   0.876  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -3.730  -2.034   1.971  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.134  -1.926   1.373  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.196  -1.015   0.178  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -6.552  -0.614  -0.275  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -7.566  -1.020   0.282  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.597   0.227  -1.353  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -7.514   0.514  -1.679  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -5.526   0.727  -2.024  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5