REMARK  Name = BDB016403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.263  -0.429  -0.159  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        2.903   0.712  -0.886  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.552   1.038  -1.111  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        1.227   2.262  -1.923  0.00  0.00    +0.038 C 
ATOM      5  C   LIG    1       -0.183   2.179  -2.489  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -1.152   1.844  -1.367  0.00  0.00    +0.111 C 
ATOM      7  N   LIG    1       -0.841   0.540  -0.750  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1        0.530   0.229  -0.583  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        0.902  -0.917   0.139  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.245  -1.246   0.345  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.856  -0.435  -1.011  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -3.041  -0.461  -0.208  0.00  0.00    +0.070 A 
ATOM     13  N   LIG    1       -3.050   0.390   0.915  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1       -2.263   1.036   0.853  0.00  0.00    +0.146 HD
ATOM     15  C   LIG    1       -4.314   0.965   1.328  0.00  0.00    +0.076 C 
ATOM     16  C   LIG    1       -5.058  -0.074   2.138  0.00  0.00    +0.118 C 
ATOM     17  C   LIG    1       -5.819  -1.019   1.261  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -5.283  -1.562   0.140  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -5.925  -2.232  -0.266  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1       -6.960  -1.373   1.580  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -4.022   2.197   2.188  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1       -4.056  -1.384  -0.531  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -3.876  -2.240  -1.636  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -2.711  -2.219  -2.401  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -1.701  -1.321  -2.088  0.00  0.00    +0.025 A 
ENDBRANCH   7  11
BRANCH   1  27
ATOM     26  C   LIG    1        5.131  -0.895   1.336  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1        4.686  -0.756   0.072  0.00  0.00    +0.013 C 
BRANCH  26  29
ATOM     28  C   LIG    1        6.742  -1.022   3.234  0.00  0.00    +0.125 C 
ATOM     29  N   LIG    1        6.388  -1.170   1.836  0.00  0.00    -0.352 N 
ATOM     30  H   LIG    1        7.161  -1.027   1.193  0.00  0.00    +0.145 HD
ENDBRANCH  26  29
BRANCH  27  31
ATOM     31  C   LIG    1        5.631  -0.934  -1.065  0.00  0.00    +0.111 C 
ATOM     32  N   LIG    1        5.355  -0.702  -2.306  0.00  0.00    -0.307 NA
ATOM     33  H   LIG    1        6.171  -0.916  -2.888  0.00  0.00    +0.186 HD
ENDBRANCH  27  31
ENDBRANCH   1  27
TORSDOF 4