REMARK  Name = BDB034319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.694  -2.591  -1.168  0.00  0.00    +0.083 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.649  -2.155  -1.552  0.00  0.00    -0.309 NA
ATOM      3  H   LIG    1        1.302  -2.252  -0.776  0.00  0.00    +0.122 HD
BRANCH   2   4
ATOM      4  C   LIG    1        0.661  -0.768  -2.015  0.00  0.00    +0.155 C 
BRANCH   4   7
ATOM      5  C   LIG    1        3.937   0.588  -1.440  0.00  0.00    +0.135 A 
ATOM      6  O   LIG    1        2.664   0.232  -1.086  0.00  0.00    -0.458 OA
ATOM      7  C   LIG    1        2.063  -0.303  -2.188  0.00  0.00    +0.119 A 
ATOM      8  C   LIG    1        2.940  -0.300  -3.250  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        4.143   0.275  -2.770  0.00  0.00    +0.050 A 
BRANCH   5  13
ATOM     10 CL   LIG    1        4.391   2.196   3.476  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        5.040   1.960   1.899  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        4.246   1.388   0.904  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.757   1.186  -0.388  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1        6.081   1.573  -0.648  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        6.874   2.146   0.352  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        6.352   2.340   1.629  0.00  0.00    +0.020 A 
ENDBRANCH   5  13
ENDBRANCH   4   7
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.889  -2.756   0.345  0.00  0.00    +0.034 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.820  -1.459   1.154  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.839  -0.498   0.739  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -1.483   0.456   0.767  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.163  -0.534   1.211  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -4.093   0.456   0.776  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -5.422   0.384   1.261  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1       -6.345   1.341   0.871  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -5.998   2.369  -0.002  0.00  0.00    +0.043 A 
ATOM     26  C   LIG    1       -4.709   2.453  -0.507  0.00  0.00    +0.021 A 
ATOM     27 CL   LIG    1       -7.174   3.536  -0.465  0.00  0.00    -0.083 Cl
ATOM     28  N   LIG    1       -5.843  -0.584   2.085  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1       -4.959  -1.532   2.443  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1       -3.764   1.502  -0.123  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1       -3.639  -1.556   2.033  0.00  0.00    +0.043 A 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8