REMARK  Name = BDB034691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.860  -1.283  -1.483  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -1.549  -1.312  -0.986  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.908  -2.422  -1.532  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.400  -2.722  -1.227  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.065  -1.863  -0.341  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.429  -0.734   0.229  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -1.824  -3.088  -2.356  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -1.563  -4.300  -3.075  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -0.907  -0.458  -0.111  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -3.058  -2.403  -2.320  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -4.093  -2.717  -2.887  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        1.094   0.161   1.096  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        0.448   0.671   1.697  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.459   0.498   1.238  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        2.971   0.951   2.467  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        4.333   1.213   2.552  0.00  0.00    +0.149 A 
ATOM     17 CL   LIG    1        5.095   1.782   3.989  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        5.211   1.061   1.539  0.00  0.00    -0.229 NA
ATOM     19  C   LIG    1        4.707   0.631   0.361  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1        3.360   0.334   0.178  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1        5.657   0.386  -0.774  0.00  0.00    +0.265 C 
ATOM     22  N   LIG    1        6.837   1.127  -0.892  0.00  0.00    -0.302 N 
ATOM     23  C   LIG    1        7.843   0.696  -1.848  0.00  0.00    +0.132 C 
ATOM     24  C   LIG    1        7.183   2.279  -0.072  0.00  0.00    +0.132 C 
ATOM     25  O   LIG    1        5.349  -0.495  -1.581  0.00  0.00    -0.268 OA
ENDBRANCH  19  21
BRANCH  15  26
ATOM     26  C   LIG    1        2.121   1.137   3.600  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1        1.396   1.294   4.492  0.00  0.00    -0.191 NA
ENDBRANCH  15  26
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  28
ATOM     28  C   LIG    1       -3.881  -0.340  -1.100  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.598  -0.777   0.182  0.00  0.00    +0.036 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.546   0.276   0.782  0.00  0.00    +0.096 C 
ATOM     31  C   LIG    1       -6.527   0.848  -0.236  0.00  0.00    +0.019 C 
BRANCH  30  32
ATOM     32  C   LIG    1       -4.771   1.394   1.465  0.00  0.00    +0.310 C 
ATOM     33  O   LIG    1       -3.568   1.589   1.351  0.00  0.00    -0.251 OA
BRANCH  32  35
ATOM     34  C   LIG    1       -4.969   3.209   2.934  0.00  0.00    +0.280 C 
ATOM     35  O   LIG    1       -5.611   2.140   2.237  0.00  0.00    -0.468 OA
ENDBRANCH  32  35
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 9