@<TRIPOS>MOLECULE
BindingDB_15647
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.3271   32.4241   59.7898  C     
2    C         7.2864   34.4147   59.5233  C     
3    C         8.4494   34.7900   60.2792  C     
4    N         7.1869   33.1129   59.2741  N     
5    C         6.0221   32.4483   58.6852  C     
6    C         5.9171   29.9446   59.5095  C     
7    C         5.9495   29.4545   58.0445  C     
8    C         6.7444   30.4239   57.1387  C     
9    C         6.2382   31.8884   57.2410  C     
10   C         5.3511   31.3850   59.6130  C     
11   O         6.4455   35.2553   59.2367  O     
12   C         9.3340   33.5339   60.1862  C     
13   C        10.1614   33.2577   61.3569  C     
14   O         9.6994   32.6821   62.3492  O     
15   N        11.4411   33.5846   61.3460  N     
16   C        12.4243   33.2180   62.2109  C     
17   C        13.4987   31.6395   63.7583  C     
18   C        12.4096   31.9869   62.9206  C     
19   C        13.5473   34.0613   62.3308  C     
20   C        14.6319   33.7169   63.1655  C     
21   C        14.5985   32.5015   63.8906  C     
22   H         8.0184   31.8333   60.6516  H     
23   H         8.7695   31.7627   59.0400  H     
24   H         8.9447   35.6607   59.8278  H     
25   H         8.1613   35.0269   61.3103  H     
26   H         5.2480   33.2117   58.5565  H     
27   H         5.2818   29.2724   60.0924  H     
28   H         6.9222   29.8902   59.9296  H     
29   H         6.4116   28.4632   58.0093  H     
30   H         4.9234   29.3586   57.6728  H     
31   H         7.8005   30.3686   57.3937  H     
32   H         6.6456   30.0973   56.1015  H     
33   H         5.2766   31.9307   56.7148  H     
34   H         6.9277   32.5450   56.7010  H     
35   H         5.3995   31.7179   60.6521  H     
36   H         4.2861   31.3285   59.3549  H     
37   H         9.9865   33.6882   59.3177  H     
38   H        11.7240   34.1502   60.6178  H     
39   H        13.4958   30.7516   64.2721  H     
40   H        11.6139   31.3433   62.7950  H     
41   H        13.5840   34.9484   61.8166  H     
42   H        15.4373   34.3439   63.2482  H     
43   H        15.3961   32.2584   64.4891  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   20   21 2
    24    1   22 1
    25    1   23 1
    26    3   24 1
    27    3   25 1
    28    5   26 1
    29    6   27 1
    30    6   28 1
    31    7   29 1
    32    7   30 1
    33    8   31 1
    34    8   32 1
    35    9   33 1
    36    9   34 1
    37   10   35 1
    38   10   36 1
    39   12   37 1
    40   15   38 1
    41   17   39 1
    42   18   40 1
    43   19   41 1
    44   20   42 1
    45   21   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8178
  Crash		| -1.1151
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.419