REMARK  Name = BDB051178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.933  -0.535  -0.227  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        2.163   0.720  -0.648  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.119   1.556  -0.722  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1       -0.130   1.208  -0.398  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -0.366  -0.041   0.037  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.668  -0.952   0.118  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -1.671  -0.401   0.357  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -1.914  -1.342   1.464  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.090  -0.887   2.361  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.355  -0.574   1.666  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -5.249  -1.727   1.617  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -4.109  -0.049   0.302  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.719   0.600   0.113  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1        3.066  -1.352  -0.180  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        3.855  -0.803  -0.497  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1        5.328  -5.629   0.812  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1        4.381  -4.509   0.628  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1        3.056  -4.608   0.940  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        2.559  -5.409   1.316  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1        2.361  -3.486   0.705  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1        3.259  -2.626   0.217  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1        4.543  -3.227   0.154  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1        1.433   2.834  -1.179  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1        2.422   2.874  -1.372  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1        0.706   4.018  -1.338  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        1.350   5.127  -1.918  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1        0.676   6.334  -2.123  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -0.656   6.442  -1.752  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -1.306   7.597  -1.946  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -1.321   5.366  -1.184  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1       -0.641   4.160  -0.983  0.00  0.00    +0.026 A 
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 5