REMARK  Name = BDB001950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.489   0.353   0.443  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -2.404  -0.966   0.080  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -1.053  -1.246  -0.037  0.00  0.00    +0.087 A 
ATOM      4  C   LIG    1       -0.712  -2.567  -0.343  0.00  0.00    +0.131 A 
ATOM      5  N   LIG    1       -1.696  -3.459  -0.573  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -2.974  -3.045  -0.459  0.00  0.00    +0.225 A 
ATOM      7  C   LIG    1       -0.415  -0.004   0.203  0.00  0.00    +0.121 A 
ATOM      8  N   LIG    1       -3.419  -1.826  -0.118  0.00  0.00    -0.216 NA
ATOM      9  N   LIG    1       -1.283   0.955   0.552  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        1.103   0.316   0.071  0.00  0.00    +0.068 A 
ATOM     11  N   LIG    1        2.056  -0.535  -0.422  0.00  0.00    -0.353 N 
ATOM     12  H   LIG    1        1.867  -1.465  -0.778  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1        3.293   0.068  -0.401  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        3.110   1.357   0.102  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.229   2.205   0.226  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        5.481   1.720  -0.162  0.00  0.00    +0.118 A 
ATOM     17  C   LIG    1        5.641   0.433  -0.662  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        4.543  -0.422  -0.794  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        1.723   1.505   0.384  0.00  0.00    +0.038 A 
BRANCH  16  20
ATOM     20  O   LIG    1        6.598   2.500  -0.062  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        6.335   3.366   0.290  0.00  0.00    +0.292 HD
ENDBRANCH  16  20
ENDBRANCH   7  10
BRANCH   1  23
ATOM     22  C   LIG    1       -4.578   1.259  -0.532  0.00  0.00    +0.032 C 
ATOM     23  C   LIG    1       -3.695   1.129   0.708  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -4.476   0.586   1.904  0.00  0.00    +0.032 C 
ENDBRANCH   1  23
BRANCH   4  25
ATOM     25  N   LIG    1        0.596  -3.067  -0.364  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1        0.509  -4.065  -0.561  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        1.018  -2.932   0.553  0.00  0.00    +0.144 HD
ENDBRANCH   4  25
TORSDOF 4