@<TRIPOS>MOLECULE
BindingDB_14793
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.3698    1.2005   64.8005  C     
2    C        43.5757    1.5822   64.2030  C     
3    N        41.3637    1.6589   64.0366  N     
4    N        41.8453    2.2933   63.0128  N     
5    C        42.1398    0.4252   66.0290  C     
6    C        44.8845    1.3241   64.6795  C     
7    O        45.0839    0.6666   65.8464  O     
8    O        45.9647    1.8027   64.0060  O     
9    C        47.3418    1.6916   64.3682  C     
10   C        48.1932    2.5248   63.3873  C     
11   C        41.0303    2.7816   62.0326  C     
12   C        41.1221    2.2512   60.7313  C     
13   C        40.3064    2.7484   59.7049  C     
14   C        39.3862    3.7770   59.9520  C     
15   C        39.2690    4.2902   61.2538  C     
16   C        40.0793    3.7941   62.2977  C     
17   C        43.1988    2.2960   63.0562  C     
18   C        44.1039    2.9676   62.0913  C     
19   S        38.4046    4.3416   58.6365  S     
20   O        39.2579    4.3581   57.2872  O     
21   O        37.1602    3.3405   58.5312  O     
22   N        37.7684    5.8782   58.8933  N     
23   H        42.5950   -0.5636   65.9363  H     
24   H        41.0731    0.2999   66.2137  H     
25   H        42.5772    0.9476   66.8815  H     
26   H        47.4861    2.0757   65.3796  H     
27   H        47.6515    0.6419   64.3336  H     
28   H        48.0735    2.1491   62.3683  H     
29   H        49.2481    2.4691   63.6685  H     
30   H        47.8694    3.5636   63.4144  H     
31   H        41.7873    1.4998   60.5260  H     
32   H        40.4018    2.3376   58.7668  H     
33   H        38.5948    5.0287   61.4667  H     
34   H        39.9855    4.1762   63.2400  H     
35   H        44.6944    3.7212   62.6111  H     
36   H        43.5584    3.4654   61.2916  H     
37   H        44.7774    2.2384   61.6412  H     
38   H        37.2594    6.3092   58.1908  H     
39   H        38.0287    6.3769   59.6855  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   14   19 1
    19   15   16 2
    20   17   18 1
    21   19   20 2
    22   19   21 2
    23   19   22 am
    24    5   23 1
    25    5   24 1
    26    5   25 1
    27    9   26 1
    28    9   27 1
    29   10   28 1
    30   10   29 1
    31   10   30 1
    32   12   31 1
    33   13   32 1
    34   15   33 1
    35   16   34 1
    36   18   35 1
    37   18   36 1
    38   18   37 1
    39   22   38 1
    40   22   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6089
  Crash		| -0.8374
  Polar		| 3.4157
  FragIndex	| 1
  FragRMSD	| 0.441