File: highlySymmetricGuanidine.mol2

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file content (150 lines) | stat: -rw-r--r-- 5,179 bytes parent folder | download | duplicates (8)
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#	Name: NoName
#	Creating user name:	stiefni2
#	Creation time:	22. 05. 2008 15:15

#	Modifying user name:	stiefni2
#	Modification time:	22. 05. 2008 15:15

#	Program:	corina 3.40 0006  02.08.2006

@<TRIPOS>MOLECULE
NoName
  65   64    0    0    0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
   1 C1            -0.8631     1.4706    -0.4018 C.3     
   2 N2            -1.5419     0.2204    -0.7519 N.pl3   
   3 C3            -1.9832    -0.6941     0.3040 C.3     
   4 C4            -1.7646    -0.0946    -2.0715 C.cat   
   5 N5            -1.5048    -1.2950    -2.5078 N.pl3   
   6 H6            -1.5774    -1.4933    -3.4546 H       
   7 C7            -1.1030    -2.3449    -1.5683 C.3     
   8 N8            -2.2615     0.8566    -2.9309 N.pl3   
   9 C9            -2.4982     2.2217    -2.4549 C.3     
  10 C10           -2.5542     0.5050    -4.3227 C.3     
  11 N11           -1.3294     0.0368    -4.9760 N.pl3   
  12 C12           -0.5585    -1.0609    -4.3868 C.3     
  13 C13           -0.9034     0.6274    -6.1421 C.cat   
  14 N14           -1.4679     0.3155    -7.2747 N.pl3   
  15 H15           -1.1477     0.7099    -8.1011 H       
  16 C16           -2.5860    -0.6307    -7.2998 C.3     
  17 N17            0.1181     1.5472    -6.1135 N.pl3   
  18 C18            0.6787     1.9797    -4.8309 C.3     
  19 C19            0.6461     2.0947    -7.3655 C.3     
  20 N20           -3.5624    -0.5574    -4.3563 N.pl3   
  21 C21           -4.7333    -0.4287    -5.2272 C.3     
  22 C22           -3.4096    -1.6751    -3.5705 C.cat   
  23 N23           -3.5309    -1.5832    -2.2759 N.pl3   
  24 H24           -3.5256    -0.7123    -1.8489 H       
  25 C25           -3.6752    -2.7953    -1.4659 C.3     
  26 N26           -3.1290    -2.8898    -4.1501 N.pl3   
  27 C27           -2.6981    -2.9518    -5.5489 C.3     
  28 C28           -3.2607    -4.1221    -3.3689 C.3     
  29 H29            0.1916     1.2709    -0.2129 H       
  30 H30           -0.9571     2.1781    -1.2256 H       
  31 H31           -1.3190     1.8930     0.4937 H       
  32 H32           -3.0438    -0.5373     0.5006 H       
  33 H33           -1.8212    -1.7235    -0.0157 H       
  34 H34           -1.4130    -0.5019     1.2129 H       
  35 H35           -0.7667    -3.2203    -2.1238 H       
  36 H36           -0.2907    -1.9790    -0.9403 H       
  37 H37           -1.9526    -2.6164    -0.9418 H       
  38 H38           -1.6032     2.8229    -2.6157 H       
  39 H39           -3.3326     2.6583    -3.0038 H       
  40 H40           -2.7348     2.1997    -1.3912 H       
  41 H41           -2.9331     1.3822    -4.8470 H       
  42 H42           -1.0935    -1.9994    -4.5320 H       
  43 H43            0.4168    -1.1202    -4.8698 H       
  44 H44           -0.4254    -0.8798    -3.3202 H       
  45 H45           -2.2271    -1.6245    -7.0321 H       
  46 H46           -3.3459    -0.3143    -6.5852 H       
  47 H47           -3.0171    -0.6575    -8.3006 H       
  48 H48            1.4456     1.2734    -4.5129 H       
  49 H49            1.1204     2.9698    -4.9429 H       
  50 H50           -0.1130     2.0175    -4.0827 H       
  51 H51           -0.1525     2.6048    -7.9043 H       
  52 H52            1.4448     2.8026    -7.1443 H       
  53 H53            1.0386     1.2842    -7.9796 H       
  54 H54           -4.5441    -0.9442    -6.1688 H       
  55 H55           -5.6005    -0.8723    -4.7380 H       
  56 H56           -4.9265     0.6260    -5.4229 H       
  57 H57           -4.6493    -3.2458    -1.6563 H       
  58 H58           -2.8896    -3.5037    -1.7288 H       
  59 H59           -3.5940    -2.5383    -0.4097 H       
  60 H60           -1.6202    -2.7999    -5.6042 H       
  61 H61           -2.9492    -3.9282    -5.9635 H       
  62 H62           -3.2045    -2.1736    -6.1199 H       
  63 H63           -3.9365    -3.9506    -2.5310 H       
  64 H64           -3.6614    -4.9131    -4.0028 H       
  65 H65           -2.2823    -4.4194    -2.9915 H       
@<TRIPOS>BOND
   1    1    2 1
   2    1   29 1
   3    1   30 1
   4    1   31 1
   5    2    3 1
   6    2    4 ar
   7    3   32 1
   8    3   33 1
   9    3   34 1
  10    4    5 ar
  11    4    8 ar
  12    5    6 1
  13    5    7 1
  14    7   35 1
  15    7   36 1
  16    7   37 1
  17    8    9 1
  18    8   10 1
  19    9   38 1
  20    9   39 1
  21    9   40 1
  22   10   11 1
  23   10   20 1
  24   10   41 1
  25   11   12 1
  26   11   13 ar
  27   12   42 1
  28   12   43 1
  29   12   44 1
  30   13   14 ar
  31   13   17 ar
  32   14   15 1
  33   14   16 1
  34   16   45 1
  35   16   46 1
  36   16   47 1
  37   17   18 1
  38   17   19 1
  39   18   48 1
  40   18   49 1
  41   18   50 1
  42   19   51 1
  43   19   52 1
  44   19   53 1
  45   20   21 1
  46   20   22 ar
  47   21   54 1
  48   21   55 1
  49   21   56 1
  50   22   23 ar
  51   22   26 ar
  52   23   24 1
  53   23   25 1
  54   25   57 1
  55   25   58 1
  56   25   59 1
  57   26   27 1
  58   26   28 1
  59   27   60 1
  60   27   61 1
  61   27   62 1
  62   28   63 1
  63   28   64 1
  64   28   65 1

#	End of record