REMARK  Name = BDB003408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.238  -1.823  -0.182  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1       -3.146  -0.845   0.215  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -2.883   0.515  -0.031  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -1.692   0.911  -0.677  0.00  0.00    +0.092 A 
ATOM      5  N   LIG    1       -1.414   2.215  -0.919  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1       -2.313   3.145  -0.533  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -3.503   2.849   0.100  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -0.770  -0.083  -1.055  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -3.789   1.514   0.354  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -1.059  -1.436  -0.820  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.585  -3.624   0.594  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -2.381  -3.172  -0.013  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   8  13
ATOM     13  N   LIG    1        0.417   0.309  -1.734  0.00  0.00    -0.340 N 
ATOM     14  H   LIG    1        0.409   1.337  -1.754  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.695  -0.215  -1.229  0.00  0.00    +0.067 C 
ATOM     16  C   LIG    1        2.743   0.030  -2.318  0.00  0.00    +0.028 C 
BRANCH  15  17
ATOM     17  C   LIG    1        2.071   0.476   0.097  0.00  0.00    +0.023 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.327  -0.118   0.747  0.00  0.00    +0.017 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.612   0.464   2.132  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.930   1.885   2.067  0.00  0.00    -0.330 NA
ATOM     21  H   LIG    1        4.763   2.027   1.497  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1        4.159   2.225   3.000  0.00  0.00    +0.118 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   8  13
TORSDOF 7