@<TRIPOS>MOLECULE
BindingDB_30197
 42 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.6011   64.8719  191.5753  C     
2    C        30.3430   64.7536  192.7809  C     
3    N        31.2775   65.7109  193.0237  N     
4    C        31.5337   66.7515  192.2067  C     
5    C        30.8113   66.8872  191.0120  C     
6    C        29.8310   65.9298  190.6633  C     
7    C        29.1175   66.0034  189.4268  C     
8    C        27.7433   65.3850  187.8062  C     
9    N        28.2058   65.0814  189.0277  N     
10   C        29.2235   66.9367  188.3932  C     
11   C        26.6004   65.2191  185.5695  C     
12   C        26.7465   64.6432  187.0156  C     
13   C        28.3686   66.5440  187.3675  C     
14   C        28.1083   67.0728  186.1226  C     
15   N        27.2693   66.4641  185.2983  N     
16   O        28.6798   68.0814  185.7241  O     
17   C        30.1690   63.6731  193.6982  C     
18   C        28.8659   61.7595  194.5310  C     
19   C        29.9129   61.3570  195.3988  C     
20   C        31.0699   62.1845  195.4288  C     
21   C        31.1932   63.3141  194.6074  C     
22   C        28.9999   62.8812  193.6994  C     
23   C        29.8116   60.2013  196.1836  C     
24   C        28.7014   59.8893  197.0818  C     
25   O        30.7115   59.3601  196.1359  O     
26   H        28.9135   64.1510  191.3526  H     
27   H        32.2484   67.4410  192.4698  H     
28   H        31.0082   67.6908  190.4105  H     
29   H        27.9339   64.3091  189.5440  H     
30   H        29.8339   67.7576  188.3672  H     
31   H        27.0041   64.4838  184.8620  H     
32   H        25.5443   65.3587  185.3408  H     
33   H        27.0468   63.5960  186.9649  H     
34   H        25.7872   64.6888  187.5334  H     
35   H        27.1497   66.8456  184.4066  H     
36   H        27.9995   61.2167  194.4713  H     
37   H        31.8567   61.9506  196.0433  H     
38   H        32.0661   63.8543  194.6363  H     
39   H        28.2205   63.1098  193.0767  H     
40   H        28.5748   60.7132  197.7910  H     
41   H        28.8724   58.9786  197.6530  H     
42   H        27.7714   59.7746  196.5136  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   17 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    7 1
     9    7    9 1
    10    7   10 2
    11    8    9 1
    12    8   12 1
    13    8   13 2
    14   10   13 1
    15   11   12 1
    16   11   15 1
    17   13   14 1
    18   14   15 1
    19   14   16 2
    20   17   21 1
    21   17   22 2
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   19   23 1
    26   20   21 2
    27   23   24 1
    28   23   25 2
    29    1   26 1
    30    4   27 1
    31    5   28 1
    32    9   29 1
    33   10   30 1
    34   11   31 1
    35   11   32 1
    36   12   33 1
    37   12   34 1
    38   15   35 1
    39   18   36 1
    40   20   37 1
    41   21   38 1
    42   22   39 1
    43   24   40 1
    44   24   41 1
    45   24   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8168
  Crash		| -1.9785
  Polar		| 1.9299
  FragIndex	| 1
  FragRMSD	| 0.703