REMARK  Name = BDB065223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.608  -1.304  -1.202  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.202  -0.965  -2.586  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.336  -1.012  -2.758  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.925  -2.313  -2.402  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.234  -2.957  -1.271  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.581  -1.982  -0.390  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.394   1.261   0.556  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -4.745   0.604  -0.571  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -3.834  -0.246  -1.120  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -4.331  -0.987  -2.330  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -2.538  -0.458  -0.597  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -2.238   0.238   0.584  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -3.162   1.105   1.169  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -6.578   2.917   3.168  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -5.528   2.173   2.521  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -5.134   1.385   3.017  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -5.421   2.187   1.136  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -6.122   2.893   0.419  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        2.388  -2.330  -2.342  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.033  -1.550  -1.212  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        3.367  -0.196  -1.379  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        3.952   0.516  -0.332  0.00  0.00    +0.053 A 
ATOM     23  N   LIG    1        4.272   1.876  -0.509  0.00  0.00    -0.306 N 
ATOM     24  H   LIG    1        4.077   2.326  -1.394  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1        4.851   2.695   0.444  0.00  0.00    +0.348 A 
ATOM     26  N   LIG    1        5.109   2.031   1.665  0.00  0.00    -0.181 N 
ATOM     27  C   LIG    1        4.832   0.700   1.934  0.00  0.00    +0.081 A 
ATOM     28  C   LIG    1        5.244   0.472   3.228  0.00  0.00    +0.050 A 
ATOM     29  C   LIG    1        5.751   1.708   3.666  0.00  0.00    +0.135 A 
ATOM     30  N   LIG    1        5.673   2.658   2.734  0.00  0.00    -0.170 NA
ATOM     31  O   LIG    1        5.120   3.877   0.271  0.00  0.00    -0.245 OA
ATOM     32  C   LIG    1        4.224  -0.110   0.895  0.00  0.00    +0.024 A 
ATOM     33  C   LIG    1        3.910  -1.458   1.063  0.00  0.00    +0.012 A 
ATOM     34  C   LIG    1        3.322  -2.171   0.014  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4