REMARK  Name = BDB064379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.194  -0.454   1.632  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.363   0.684   0.001  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1        2.448  -0.015  -1.018  0.00  0.00    +0.023 C 
ATOM      4  C   LIG    1        1.021  -0.101  -0.475  0.00  0.00    +0.085 C 
ATOM      5  N   LIG    1        0.907  -0.894   0.758  0.00  0.00    -0.302 NA
ATOM      6  C   LIG    1        2.177  -0.998   1.497  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1        3.027   0.271   1.447  0.00  0.00    +0.023 C 
BRANCH   2  11
ATOM      8  C   LIG    1        7.553   0.186  -1.007  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        6.796  -0.920  -0.614  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        5.445  -0.767  -0.288  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        4.831   0.493  -0.348  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1        5.601   1.597  -0.745  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        6.952   1.446  -1.072  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1       10.059  -0.096  -1.613  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        8.938   0.030  -1.341  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.603  -0.773   1.109  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.144   0.213   0.077  0.00  0.00    +0.075 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.634   0.032  -0.089  0.00  0.00    +0.110 A 
ATOM     19  N   LIG    1       -4.031  -1.082  -0.774  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -3.354  -1.733  -1.146  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -5.346  -1.392  -1.000  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1       -5.681  -2.394  -1.619  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -6.330  -0.443  -0.451  0.00  0.00    +0.066 A 
ATOM     24  C   LIG    1       -5.844   0.672   0.241  0.00  0.00    +0.096 A 
ATOM     25  C   LIG    1       -6.785   1.574   0.763  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1       -8.160   1.361   0.595  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -8.618   0.241  -0.100  0.00  0.00    +0.002 A 
ATOM     28 CL   LIG    1       -6.289   2.983   1.636  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1       -7.702  -0.666  -0.626  0.00  0.00    +0.015 A 
ATOM     30  N   LIG    1       -4.459   0.889   0.413  0.00  0.00    -0.232 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6