REMARK  Name = BDB036414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.327  -0.315  -0.401  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.649  -1.021  -1.549  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.521  -0.775  -2.361  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.725  -2.159  -1.622  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.827  -2.065  -0.557  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.175  -3.017  -0.392  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.236  -4.057  -1.338  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.680  -4.136  -2.405  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.678  -3.175  -2.556  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.129  -0.839   0.244  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -2.731   4.794   1.522  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -2.847   3.696   0.987  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -2.157   3.390  -0.158  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -1.503   4.101  -0.458  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -1.879   2.123  -0.618  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -0.914   1.935  -1.357  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -2.845   1.022  -0.141  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.161   1.242   1.336  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.764   2.624   1.527  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.182  -2.927   0.723  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.154  -1.894   0.447  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.675  -1.972  -0.418  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.185  -0.709   1.141  0.00  0.00    +0.246 C 
ATOM     24  O   LIG    1        1.492  -0.491   2.131  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.131   0.337   0.668  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        3.425   0.602  -0.679  0.00  0.00    +0.054 A 
ATOM     27 CL   LIG    1        2.698  -0.247  -1.998  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        4.325   1.623  -1.012  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        4.922   2.383  -0.009  0.00  0.00    +0.042 A 
ATOM     30 CL   LIG    1        6.023   3.636  -0.429  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        4.629   2.140   1.329  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        3.732   1.124   1.666  0.00  0.00    +0.016 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4