REMARK  Name = BDB004002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.145  -0.599  -0.648  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -1.329  -0.012  -0.275  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -2.248  -1.060  -0.314  0.00  0.00    +0.089 A 
ATOM      4  C   LIG    1       -3.587  -0.814   0.024  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.963   0.484   0.389  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.025   1.518   0.419  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -1.646  -2.231  -0.703  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -1.684   1.293   0.086  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.386  -1.920  -0.905  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        1.139   0.059  -0.780  0.00  0.00    +0.137 C 
BRANCH  10  12
ATOM     11  C   LIG    1        2.309  -1.005   1.222  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1        1.843   0.289   0.556  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.991   1.231   0.309  0.00  0.00    +0.309 C 
ATOM     14  O   LIG    1        2.959   2.441   0.465  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1        4.088   0.637  -0.190  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1        4.734   1.368  -0.302  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
TORSDOF 4