REMARK  Name = BDB055115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.352  -0.070   0.746  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1        2.037   0.157   0.439  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1        1.574  -0.076  -0.426  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.440   0.757   1.516  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1        2.463   0.863   2.445  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1        2.297   1.407   3.668  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        1.038   1.843   3.905  0.00  0.00    +0.135 A 
ATOM      8  C   LIG    1       -0.041   1.769   3.019  0.00  0.00    +0.082 A 
ATOM      9 CL   LIG    1       -1.557   2.401   3.559  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1        0.133   1.198   1.743  0.00  0.00    +0.077 A 
ATOM     11  N   LIG    1        3.634   0.351   1.962  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        6.536  -0.719   1.248  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1        5.742  -1.004   0.027  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        4.373  -0.733  -0.209  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        4.125  -1.185  -1.484  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1        5.314  -1.686  -1.931  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1        5.578  -2.279  -3.220  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1        6.312  -1.590  -1.036  0.00  0.00    -0.176 NA
ENDBRANCH   1  14
BRANCH  10  19
ATOM     19  N   LIG    1       -0.813   1.042   0.733  0.00  0.00    -0.325 N 
ATOM     20  C   LIG    1       -1.175   2.301   0.047  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -2.170   1.983  -1.092  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -3.447   1.387  -0.637  0.00  0.00    -0.294 NA
ATOM     23  C   LIG    1       -3.325   0.797   0.712  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -1.957   0.154   1.047  0.00  0.00    +0.120 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.977   0.464  -1.653  0.00  0.00    +0.145 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.429   0.179  -1.449  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1       -6.057  -1.028  -1.081  0.00  0.00    +0.106 A 
ATOM     28  C   LIG    1       -5.460  -2.344  -0.776  0.00  0.00    +0.071 C 
ATOM     29  N   LIG    1       -7.379  -0.849  -1.040  0.00  0.00    -0.054 NA
ATOM     30  O   LIG    1       -7.573   0.483  -1.391  0.00  0.00    -0.242 OA
ATOM     31  N   LIG    1       -6.363   1.112  -1.662  0.00  0.00    -0.052 NA
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  10  19
TORSDOF 4