REMARK  Name = BDB034164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.440   2.100  -0.238  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.691   3.008   0.007  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1        1.949   2.213   0.396  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        2.213   1.054  -0.537  0.00  0.00    -0.040 C 
ATOM      5  C   LIG    1        1.231   0.621  -1.351  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1       -0.148   1.224  -1.386  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.547   0.422  -0.514  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        4.251   0.236   0.679  0.00  0.00    +0.119 A 
ATOM      9  N   LIG    1        5.487  -0.315   0.775  0.00  0.00    -0.250 NA
ATOM     10  C   LIG    1        6.061  -0.704  -0.396  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        5.457  -0.566  -1.637  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        4.187   0.008  -1.690  0.00  0.00    +0.012 A 
BRANCH  10  13
ATOM     13  C   LIG    1        7.425  -1.315  -0.287  0.00  0.00    +0.263 C 
ATOM     14  N   LIG    1        7.929  -1.352   0.993  0.00  0.00    -0.297 N 
ATOM     15  H   LIG    1        7.295  -1.063   1.736  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1        8.024  -1.750  -1.263  0.00  0.00    -0.269 OA
BRANCH  14  17
ATOM     17  C   LIG    1        9.166  -2.038   1.294  0.00  0.00    +0.223 C 
BRANCH  17  18
ATOM     18  C   LIG    1        9.615  -1.792   2.671  0.00  0.00    +0.081 C 
ATOM     19  N   LIG    1        9.954  -1.598   3.765  0.00  0.00    -0.195 NA
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -1.681   2.863  -0.444  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -6.731  -1.162   0.431  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -5.791  -1.329   1.589  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1       -6.024  -2.111   2.505  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1       -4.653  -0.564   1.584  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1       -4.027  -0.691   2.368  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -4.349   0.351   0.570  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -5.224   0.518  -0.501  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1       -5.010   1.379  -1.518  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1       -3.866   2.101  -1.459  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -2.921   2.002  -0.438  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1       -3.185   1.106   0.607  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1       -6.448  -0.274  -0.540  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1       -7.734  -3.427   0.007  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -7.987  -1.989   0.438  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 7