REMARK  Name = BDB031703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.994  -1.090  -2.032  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.626  -1.713  -0.824  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.551  -1.303  -0.187  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.391  -0.323  -0.697  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        2.458  -0.216   0.251  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        2.284  -1.068   1.268  0.00  0.00    -0.158 NA
ATOM      7  C   LIG    1        1.043   0.287  -1.916  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1        1.139  -1.701   0.980  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1        0.805  -2.404   1.628  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.138  -0.109  -2.562  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.895   0.690   1.170  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.377   0.363  -0.092  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.927  -0.694  -0.803  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -3.634  -1.302  -2.145  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -2.259  -1.501  -2.750  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1       -4.673  -2.390  -2.289  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1       -5.427  -2.388  -1.128  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -6.196  -3.022  -0.978  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -4.801  -3.122  -3.256  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -3.207  -0.463  -3.315  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -5.006  -1.394  -0.243  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.543  -1.099   0.991  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -4.972  -0.041   1.705  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1       -3.709   2.099   3.082  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.267   1.744   1.778  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1        3.486   0.657   0.083  0.00  0.00    -0.292 N 
ATOM     27  H   LIG    1        3.460   1.232  -0.753  0.00  0.00    +0.154 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.550   0.861   0.894  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        5.552   1.761   0.657  0.00  0.00    +0.235 A 
ATOM     30  O   LIG    1        5.927   2.669  -0.237  0.00  0.00    -0.473 OA
ATOM     31  C   LIG    1        7.184   3.226   0.264  0.00  0.00    +0.254 C 
ATOM     32  C   LIG    1        7.521   2.537   1.598  0.00  0.00    +0.188 C 
ATOM     33  N   LIG    1        6.400   1.646   1.695  0.00  0.00    -0.228 N 
ATOM     34  N   LIG    1        6.085   0.756   2.629  0.00  0.00    -0.175 NA
ATOM     35  C   LIG    1        4.929   0.261   2.134  0.00  0.00    +0.161 A 
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 4