@<TRIPOS>MOLECULE
BindingDB_14797
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.4443    1.0932   64.6857  C     
2    C        43.6385    1.5412   64.1182  C     
3    N        41.4320    1.5586   63.9441  N     
4    N        41.8896    2.2616   62.9556  N     
5    C        42.2325    0.2874   65.8960  C     
6    C        44.9539    1.3219   64.6109  C     
7    O        45.1506    0.7512   65.8248  O     
8    O        46.0419    1.7064   63.8915  O     
9    C        47.4163    1.5913   64.2801  C     
10   C        48.2833    2.4838   63.3757  C     
11   C        41.0369    2.8766   62.0807  C     
12   C        40.0175    3.7137   62.6015  C     
13   C        39.1088    4.3565   61.7441  C     
14   C        39.1976    4.1669   60.3565  C     
15   C        40.1879    3.3261   59.8251  C     
16   C        41.1010    2.6710   60.6735  C     
17   C        43.2453    2.3022   63.0130  C     
18   C        44.1444    3.0963   62.1429  C     
19   Cl       42.1928    1.5868   59.9629  Cl    
20   H        42.7144   -0.6881   65.7839  H     
21   H        41.1636    0.1290   66.0759  H     
22   H        42.6526    0.8029   66.7636  H     
23   H        47.5370    1.9092   65.3174  H     
24   H        47.7332    0.5519   64.1788  H     
25   H        48.1876    2.1685   62.3338  H     
26   H        49.3345    2.4126   63.6716  H     
27   H        47.9631    3.5240   63.4650  H     
28   H        39.9397    3.8638   63.6144  H     
29   H        38.3791    4.9623   62.1334  H     
30   H        38.5406    4.6421   59.7307  H     
31   H        40.2196    3.1689   58.8145  H     
32   H        44.7350    3.7639   62.7572  H     
33   H        43.5866    3.6956   61.4251  H     
34   H        44.8069    2.4253   61.5951  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   15   16 2
    19   16   19 1
    20   17   18 1
    21    5   20 1
    22    5   21 1
    23    5   22 1
    24    9   23 1
    25    9   24 1
    26   10   25 1
    27   10   26 1
    28   10   27 1
    29   12   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8870
  Crash		| -0.4683
  Polar		| 1.1006
  FragIndex	| 1
  FragRMSD	| 0.240