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CHEMICAL molecule Data  |  1988-06-26  |  5.4 KB  |  131 lines
  1. chemical_name("Lactic Acid")
  2. chemical(a(12,"H ",o("1s",1,"σ",11)))
  3. chemical(a(11,"O ",o("sp'",1,"σ",12)))
  4. chemical(a(11,"O ",o("sp`",1,"σ",9)))
  5. chemical(a(9,"C ",o("sp2'",1,"σ",11)))
  6. chemical(a(10,"O ",o("3p(y)",1,"σ",9)))
  7. chemical(a(9,"C ",o("sp2`",1,"σ",10)))
  8. chemical(a(8,"H ",o("1s",1,"σ",5)))
  9. chemical(a(5,"C ",o("sp3'",1,"σ",8)))
  10. chemical(a(7,"H ",o("1s",1,"σ",6)))
  11. chemical(a(6,"O ",o("sp'",1,"σ",7)))
  12. chemical(a(9,"C ",o("sp2^",1,"σ",5)))
  13. chemical(a(5,"C ",o("sp3`",1,"σ",9)))
  14. chemical(a(6,"O ",o("sp`",1,"σ",5)))
  15. chemical(a(5,"C ",o("sp3^",1,"σ",6)))
  16. chemical(a(4,"H ",o("1s",1,"σ",1)))
  17. chemical(a(1,"C ",o("sp3'",1,"σ",4)))
  18. chemical(a(3,"H ",o("1s",1,"σ",1)))
  19. chemical(a(1,"C ",o("sp3`",1,"σ",3)))
  20. chemical(a(2,"H ",o("1s",1,"σ",1)))
  21. chemical(a(1,"C ",o("sp3^",1,"σ",2)))
  22. chemical(a(5,"C ",o("sp3~",1,"σ",1)))
  23. chemical(a(1,"C ",o("sp3~",1,"σ",5)))
  24. chemical(a(1,"C ",o("3d(a)",0,"no",0)))
  25. chemical(a(1,"C ",o("3d(b)",0,"no",0)))
  26. chemical(a(1,"C ",o("3d(c)",0,"no",0)))
  27. chemical(a(1,"C ",o("3d(d)",0,"no",0)))
  28. chemical(a(1,"C ",o("3d(e)",0,"no",0)))
  29. chemical(a(2,"H ",o("2p(x)",0,"no",0)))
  30. chemical(a(2,"H ",o("2p(y)",0,"no",0)))
  31. chemical(a(2,"H ",o("2p(z)",0,"no",0)))
  32. chemical(a(2,"H ",o("3d(a)",0,"no",0)))
  33. chemical(a(2,"H ",o("3d(b)",0,"no",0)))
  34. chemical(a(2,"H ",o("3d(c)",0,"no",0)))
  35. chemical(a(2,"H ",o("3d(d)",0,"no",0)))
  36. chemical(a(2,"H ",o("3d(e)",0,"no",0)))
  37. chemical(a(3,"H ",o("2p(x)",0,"no",0)))
  38. chemical(a(3,"H ",o("2p(y)",0,"no",0)))
  39. chemical(a(3,"H ",o("2p(z)",0,"no",0)))
  40. chemical(a(3,"H ",o("3d(a)",0,"no",0)))
  41. chemical(a(3,"H ",o("3d(b)",0,"no",0)))
  42. chemical(a(3,"H ",o("3d(c)",0,"no",0)))
  43. chemical(a(3,"H ",o("3d(d)",0,"no",0)))
  44. chemical(a(3,"H ",o("3d(e)",0,"no",0)))
  45. chemical(a(4,"H ",o("2p(x)",0,"no",0)))
  46. chemical(a(4,"H ",o("2p(y)",0,"no",0)))
  47. chemical(a(4,"H ",o("2p(z)",0,"no",0)))
  48. chemical(a(4,"H ",o("3d(a)",0,"no",0)))
  49. chemical(a(4,"H ",o("3d(b)",0,"no",0)))
  50. chemical(a(4,"H ",o("3d(c)",0,"no",0)))
  51. chemical(a(4,"H ",o("3d(d)",0,"no",0)))
  52. chemical(a(4,"H ",o("3d(e)",0,"no",0)))
  53. chemical(a(5,"C ",o("3d(a)",0,"no",0)))
  54. chemical(a(5,"C ",o("3d(b)",0,"no",0)))
  55. chemical(a(5,"C ",o("3d(c)",0,"no",0)))
  56. chemical(a(5,"C ",o("3d(d)",0,"no",0)))
  57. chemical(a(5,"C ",o("3d(e)",0,"no",0)))
  58. chemical(a(6,"O ",o("3d(a)",0,"no",0)))
  59. chemical(a(6,"O ",o("3d(b)",0,"no",0)))
  60. chemical(a(6,"O ",o("3d(c)",0,"no",0)))
  61. chemical(a(6,"O ",o("3d(d)",0,"no",0)))
  62. chemical(a(6,"O ",o("3d(e)",0,"no",0)))
  63. chemical(a(7,"H ",o("2p(x)",0,"no",0)))
  64. chemical(a(7,"H ",o("2p(y)",0,"no",0)))
  65. chemical(a(7,"H ",o("2p(z)",0,"no",0)))
  66. chemical(a(7,"H ",o("3d(a)",0,"no",0)))
  67. chemical(a(7,"H ",o("3d(b)",0,"no",0)))
  68. chemical(a(7,"H ",o("3d(c)",0,"no",0)))
  69. chemical(a(7,"H ",o("3d(d)",0,"no",0)))
  70. chemical(a(7,"H ",o("3d(e)",0,"no",0)))
  71. chemical(a(8,"H ",o("2p(x)",0,"no",0)))
  72. chemical(a(8,"H ",o("2p(y)",0,"no",0)))
  73. chemical(a(8,"H ",o("2p(z)",0,"no",0)))
  74. chemical(a(8,"H ",o("3d(a)",0,"no",0)))
  75. chemical(a(8,"H ",o("3d(b)",0,"no",0)))
  76. chemical(a(8,"H ",o("3d(c)",0,"no",0)))
  77. chemical(a(8,"H ",o("3d(d)",0,"no",0)))
  78. chemical(a(8,"H ",o("3d(e)",0,"no",0)))
  79. chemical(a(9,"C ",o("3d(a)",0,"no",0)))
  80. chemical(a(9,"C ",o("3d(b)",0,"no",0)))
  81. chemical(a(9,"C ",o("3d(c)",0,"no",0)))
  82. chemical(a(9,"C ",o("3d(d)",0,"no",0)))
  83. chemical(a(9,"C ",o("3d(e)",0,"no",0)))
  84. chemical(a(10,"O ",o("2s",2,"no",0)))
  85. chemical(a(10,"O ",o("3p(x)",2,"no",0)))
  86. chemical(a(10,"O ",o("3p(z)",1,"no",0)))
  87. chemical(a(10,"O ",o("3d(a)",0,"no",0)))
  88. chemical(a(10,"O ",o("3d(b)",0,"no",0)))
  89. chemical(a(10,"O ",o("3d(c)",0,"no",0)))
  90. chemical(a(10,"O ",o("3d(d)",0,"no",0)))
  91. chemical(a(10,"O ",o("3d(e)",0,"no",0)))
  92. chemical(a(11,"O ",o("3d(a)",0,"no",0)))
  93. chemical(a(11,"O ",o("3d(b)",0,"no",0)))
  94. chemical(a(11,"O ",o("3d(c)",0,"no",0)))
  95. chemical(a(11,"O ",o("3d(d)",0,"no",0)))
  96. chemical(a(11,"O ",o("3d(e)",0,"no",0)))
  97. chemical(a(12,"H ",o("2p(x)",0,"no",0)))
  98. chemical(a(12,"H ",o("2p(y)",0,"no",0)))
  99. chemical(a(12,"H ",o("2p(z)",0,"no",0)))
  100. chemical(a(12,"H ",o("3d(a)",0,"no",0)))
  101. chemical(a(12,"H ",o("3d(b)",0,"no",0)))
  102. chemical(a(12,"H ",o("3d(c)",0,"no",0)))
  103. chemical(a(12,"H ",o("3d(d)",0,"no",0)))
  104. chemical(a(12,"H ",o("3d(e)",0,"no",0)))
  105. chemical(a(6,"O ",o("3p(x)",2,"no",0)))
  106. chemical(a(6,"O ",o("3p(z)",2,"no",0)))
  107. chemical(a(9,"C ",o("3p(z)",1,"no",0)))
  108. chemical(a(11,"O ",o("3p(x)",2,"no",0)))
  109. chemical(a(11,"O ",o("3p(z)",2,"no",0)))
  110. atomlocation(12,l(-3535,-942,-376,0.375,1.1675200878,-2.9544414234,0.24527155296,3848),1)
  111. atomlocation(11,l(-2417,-446,-588,0.58,0.9593608488,0.30165288384,0.16824723527,269),1)
  112. atomlocation(10,l(-887,1388,-2400,0.7,5.43074564,25.075837272,6.2830729575,269),1)
  113. atomlocation(9,l(-964,199,-1040,0.691,0.61868072481,63.133503616,0.40084226246,1290),1)
  114. atomlocation(8,l(506,-1786,-198,0.375,1.57079633,0,4.712387211,3848),1)
  115. atomlocation(7,l(2894,580,-1504,0.375,0.69313957884,-5.8243050006,0.08364049744,3848),1)
  116. atomlocation(6,l(1849,151,-988,0.58,0.60926873103,-2.6099973528,0.064793283845,269),1)
  117. atomlocation(5,l(506,-400,-198,0.691,0,62.83185308,0,1290),1)
  118. atomlocation(4,l(510,1585,1496,0.375,4.712387201,0,1.57079633,3848),1)
  119. atomlocation(3,l(1644,-263,2145,0.375,0.61867675613,-0.52,6.2167353693,3848),1)
  120. atomlocation(2,l(-616,-263,2158,0.375,0.60926906971,-2.6099999964,0.064788566157,3848),1)
  121. atomlocation(1,l(510,199,1496,0.691,0,0,0,1290),1)
  122. commandactive("Files")
  123. viewshown("Bot")
  124. grid(8)
  125. atom_count(13)
  126. valencelist(11,2,-6)
  127. valencelist(9,1,4)
  128. valencelist(6,2,-6)
  129. valencelist(5,1,4)
  130. valencelist(1,1,4)
  131.