REMARK  Name = BDB012799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.080   1.047  -0.372  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.402  -0.036  -1.211  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.008   0.047  -0.852  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        1.937  -0.734  -1.516  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.566  -1.543  -2.368  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.194   0.876   0.329  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.210   1.080   0.888  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -4.412  -0.415   0.718  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -3.034  -0.284   0.541  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -2.549   0.828  -0.134  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1       -3.378   1.785  -0.617  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1       -4.712   1.658  -0.422  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -5.589   2.755  -0.948  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -5.269   0.575   0.241  0.00  0.00    +0.036 A 
BRANCH   8  18
ATOM     15  C   LIG    1       -6.713  -3.251   1.691  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -6.187  -2.035   1.123  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1       -6.606  -1.703   0.265  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -4.917  -1.606   1.450  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -4.199  -2.168   2.269  0.00  0.00    -0.270 OA
ENDBRANCH   8  18
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  C   LIG    1        3.341  -0.615  -1.202  0.00  0.00    +0.121 A 
ATOM     21  N   LIG    1        4.222  -1.578  -1.623  0.00  0.00    -0.272 N 
ATOM     22  H   LIG    1        3.994  -2.410  -2.159  0.00  0.00    +0.189 HD
ATOM     23  N   LIG    1        5.497  -1.364  -1.262  0.00  0.00    -0.178 NA
ATOM     24  C   LIG    1        5.457  -0.191  -0.623  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1        4.136   0.320  -0.569  0.00  0.00    +0.057 A 
BRANCH  24  26
ATOM     26  C   LIG    1        6.720   0.417  -0.081  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        7.035   1.754  -0.756  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        6.656   0.585   1.438  0.00  0.00    +0.014 C 
ENDBRANCH  24  26
ENDBRANCH   4  20
TORSDOF 4