@<TRIPOS>MOLECULE
BindingDB_50110765
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.4560    4.8462   58.2342  C     
2    N        29.8307    3.8497   56.5226  N     
3    C        29.4539    3.9226   57.8237  C     
4    C        29.2734    4.6473   55.5764  C     
5    C        27.8652    5.6548   57.2194  C     
6    N        28.3123    5.5222   55.9426  N     
7    C        28.0618    4.9228   59.6010  C     
8    C        28.8291    5.6038   60.5818  C     
9    C        28.4017    5.6172   61.9251  C     
10   C        26.8739    4.2744   59.9987  C     
11   N        30.0854    3.1022   58.6823  N     
12   N        29.6554    4.6006   54.2881  N     
13   C        27.2214    4.9608   62.3076  C     
14   Cl       30.2542    6.4452   60.1986  Cl    
15   C        26.4546    4.2928   61.3387  C     
16   Cl       26.7125    4.9847   63.9256  Cl    
17   C        26.8205    6.6947   57.4340  C     
18   C        25.5760    6.4926   56.5349  C     
19   H        28.9526    6.1116   62.6325  H     
20   H        26.3004    3.7834   59.3082  H     
21   H        30.7591    2.4948   58.3500  H     
22   H        29.9134    3.1396   59.6347  H     
23   H        29.2463    5.2079   53.6406  H     
24   H        30.3370    3.9727   53.9976  H     
25   H        25.5888    3.8170   61.6000  H     
26   H        26.4848    6.7250   58.4724  H     
27   H        27.2597    7.6702   57.2101  H     
28   H        25.8519    6.5482   55.4804  H     
29   H        24.8405    7.2732   56.7385  H     
30   H        25.1183    5.5225   56.7323  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    5 2
     3    1    7 1
     4    2    3 2
     5    2    4 1
     6    3   11 1
     7    4    6 2
     8    4   12 1
     9    5    6 1
    10    5   17 1
    11    7    8 1
    12    7   10 2
    13    8    9 2
    14    8   14 1
    15    9   13 1
    16   10   15 1
    17   13   15 2
    18   13   16 1
    19   17   18 1
    20    9   19 1
    21   10   20 1
    22   11   21 1
    23   11   22 1
    24   12   23 1
    25   12   24 1
    26   15   25 1
    27   17   26 1
    28   17   27 1
    29   18   28 1
    30   18   29 1
    31   18   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1980
  Crash		| -0.4316
  Polar		| 2.6638
  FragIndex	| 1
  FragRMSD	| 0.617