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Text File  |  1987-09-07  |  8KB  |  164 lines
  1. chemical_name("Adenosine Diphosphate ATP")
  2. chemical(a(19,"O",o("sp_5'",1,"σ",15)))
  3. chemical(a(15,"C",o("sp3_5^",1,"σ",19)))
  4. chemical(a(43,"O",o("3d(a)",1,"σ",22)))
  5. chemical(a(22,"P",o("sp3~",1,"σ",43)))
  6. chemical(a(42,"O",o("3p(y)",1,"σ",22)))
  7. chemical(a(22,"P",o("sp3'",1,"σ",42)))
  8. chemical(a(41,"O",o("3d(a)",1,"σ",36)))
  9. chemical(a(36,"P",o("sp3~",1,"σ",41)))
  10. chemical(a(40,"O",o("3p(y)",1,"σ",36)))
  11. chemical(a(36,"P",o("sp3'",1,"σ",40)))
  12. chemical(a(39,"O",o("3d(a)",1,"σ",34)))
  13. chemical(a(34,"P",o("sp3~",1,"σ",39)))
  14. chemical(a(38,"O",o("3p(y)",1,"σ",34)))
  15. chemical(a(34,"P",o("sp3'",1,"σ",38)))
  16. chemical(a(37,"O",o("3p(y)",1,"σ",36)))
  17. chemical(a(36,"P",o("sp3`",1,"σ",37)))
  18. chemical(a(36,"P",o("sp3^",1,"σ",35)))
  19. chemical(a(35,"O",o("sp'",1,"σ",36)))
  20. chemical(a(35,"O",o("sp`",1,"σ",34)))
  21. chemical(a(34,"P",o("sp3`",1,"σ",35)))
  22. chemical(a(34,"P",o("sp3^",1,"σ",33)))
  23. chemical(a(33,"O",o("sp'",1,"σ",34)))
  24. chemical(a(33,"O",o("sp`",1,"σ",22)))
  25. chemical(a(22,"P",o("sp3`",1,"σ",33)))
  26. chemical(a(32,"H",o("1s",1,"σ",20)))
  27. chemical(a(20,"C",o("sp3'",1,"σ",32)))
  28. chemical(a(31,"H",o("1s",1,"σ",20)))
  29. chemical(a(20,"C",o("sp3`",1,"σ",31)))
  30. chemical(a(30,"H",o("1s",1,"σ",15)))
  31. chemical(a(15,"C",o("sp3_5'",1,"σ",30)))
  32. chemical(a(29,"H",o("1s",1,"σ",16)))
  33. chemical(a(16,"C",o("sp3_5'",1,"σ",29)))
  34. chemical(a(28,"H",o("1s",1,"σ",24)))
  35. chemical(a(24,"O",o("3p(z)",1,"σ",28)))
  36. chemical(a(24,"O",o("3p(y)",1,"σ",16)))
  37. chemical(a(16,"C",o("sp3_5`",1,"σ",24)))
  38. chemical(a(27,"H",o("1s",1,"σ",23)))
  39. chemical(a(23,"O",o("3p(z)",1,"σ",27)))
  40. chemical(a(26,"H",o("1s",1,"σ",17)))
  41. chemical(a(17,"C",o("sp3_5'",1,"σ",26)))
  42. chemical(a(23,"O",o("3p(y)",1,"σ",17)))
  43. chemical(a(17,"C",o("sp3_5`",1,"σ",23)))
  44. chemical(a(25,"H",o("1s",1,"σ",18)))
  45. chemical(a(18,"C",o("sp3_5'",1,"σ",25)))
  46. chemical(a(22,"P",o("sp3^",1,"σ",21)))
  47. chemical(a(21,"O",o("sp'",1,"σ",22)))
  48. chemical(a(21,"O",o("sp`",1,"σ",20)))
  49. chemical(a(20,"C",o("sp3^",1,"σ",21)))
  50. chemical(a(20,"C",o("sp3~",1,"σ",18)))
  51. chemical(a(18,"C",o("sp3_5`",1,"σ",20)))
  52. chemical(a(19,"O",o("sp_5`",1,"σ",18)))
  53. chemical(a(18,"C",o("sp3_5^",1,"σ",19)))
  54. chemical(a(18,"C",o("sp3_5~",1,"σ",17)))
  55. chemical(a(17,"C",o("sp3_5^",1,"σ",18)))
  56. chemical(a(17,"C",o("sp3_5~",1,"σ",16)))
  57. chemical(a(16,"C",o("sp3_5^",1,"σ",17)))
  58. chemical(a(16,"C",o("sp3_5~",1,"σ",15)))
  59. chemical(a(15,"C",o("sp3_5~",1,"σ",16)))
  60. chemical(a(15,"C",o("sp3_5`",1,"σ",7)))
  61. chemical(a(7,"N",o("sp2`",1,"σ",15)))
  62. chemical(a(2,"C",o("sp2'",1,"σ",9)))
  63. chemical(a(9,"N",o("sp2`",1,"σ",2)))
  64. chemical(a(1,"C",o("sp2'",1,"σ",6)))
  65. chemical(a(6,"N",o("sp2`",1,"σ",1)))
  66. chemical(a(2,"C",o("3p(z)",1,"π",1)))
  67. chemical(a(1,"C",o("3p(z)",1,"π",2)))
  68. chemical(a(14,"H",o("1s",1,"σ",8)))
  69. chemical(a(8,"C",o("sp2'",1,"σ",14)))
  70. chemical(a(13,"H",o("1s",1,"σ",5)))
  71. chemical(a(5,"C",o("sp2'",1,"σ",13)))
  72. chemical(a(12,"H",o("1s",1,"σ",10)))
  73. chemical(a(10,"N",o("sp2'",1,"σ",12)))
  74. chemical(a(11,"H",o("1s",1,"σ",10)))
  75. chemical(a(10,"N",o("sp2`",1,"σ",11)))
  76. chemical(a(10,"N",o("sp2^",1,"σ",3)))
  77. chemical(a(3,"C",o("sp2`",1,"σ",10)))
  78. chemical(a(9,"N",o("sp2^",1,"σ",8)))
  79. chemical(a(8,"C",o("sp2`",1,"σ",9)))
  80. chemical(a(8,"C",o("sp2^",1,"σ",7)))
  81. chemical(a(7,"N",o("sp2'",1,"σ",8)))
  82. chemical(a(7,"N",o("sp2^",1,"σ",1)))
  83. chemical(a(1,"C",o("sp2`",1,"σ",7)))
  84. chemical(a(6,"N",o("sp2^",1,"σ",5)))
  85. chemical(a(5,"C",o("sp2`",1,"σ",6)))
  86. chemical(a(5,"C",o("sp2^",1,"σ",4)))
  87. chemical(a(4,"N",o("sp2`",1,"σ",5)))
  88. chemical(a(4,"N",o("sp2^",1,"σ",3)))
  89. chemical(a(3,"C",o("sp2'",1,"σ",4)))
  90. chemical(a(3,"C",o("sp2^",1,"σ",2)))
  91. chemical(a(2,"C",o("sp2`",1,"σ",3)))
  92. chemical(a(2,"C",o("sp2^",1,"σ",1)))
  93. chemical(a(1,"C",o("sp2^",1,"σ",2)))
  94. atomlocation(1,l(-3763,695,-2762,0.691,0,0,0,4),1)
  95. atomlocation(2,l(-5139,695,-3917,0.691,0,62.83185308,0,4),1)
  96. atomlocation(3,l(-4828,695,-5687,0.691,0,62.831641041,3.141590871,4),1)
  97. atomlocation(4,l(-3129,695,-6305,0.7,3.14159265,63.879045734,3.141590871,5),1)
  98. atomlocation(5,l(-1743,695,-5143,0.691,3.14159265,62.832055734,3.141590871,4),1)
  99. atomlocation(6,l(-2057,695,-3362,0.7,3.14159265,62.831843694,0,5),1)
  100. atomlocation(7,l(-4066,695,-1043,0.7,3.14159265,62.831638387,0,5),1)
  101. atomlocation(8,l(-5901,695,-801,0.691,0,63.87904308,0,4),1)
  102. atomlocation(9,l(-6483,695,-2681,0.7,0,62.83205308,0,5),1)
  103. atomlocation(10,l(-6213,695,-6849,0.7,0,62.83185308,0,5),1)
  104. atomlocation(11,l(-5970,695,-8225,0.375,0,-5.2359900026,0,1),1)
  105. atomlocation(12,l(-7525,695,-6371,0.375,0,-3.14159265,0,1),1)
  106. atomlocation(13,l(-441,695,-5617,0.375,0,-6.2829800024,0,1),1)
  107. atomlocation(14,l(-6654,695,324,0.375,0,-2.0943999964,0,1),1)
  108. atomlocation(15,l(-2672,695,127,0.7,2.2548413717,32.372980897,0,4),1)
  109. atomlocation(16,l(-3148,695,1884,0.7,0,-2.1845399695,0,4),1)
  110. atomlocation(17,l(-1625,695,2880,0.7,0,-0.92794466233,0,4),1)
  111. atomlocation(18,l(-206,695,1739,0.7,0,-5.9545346651,0,4),1)
  112. atomlocation(19,l(-853,695,37,0.7,3.141590881,62.532099029,0,6),1)
  113. atomlocation(20,l(1036,-577,2070,0.691,4.5276411666,62.958896933,0.69459269994,4),1)
  114. atomlocation(21,l(2270,-392,987,0.58,0.30183478301,-2.7705875955,0.0054023278646,6),1)
  115. atomlocation(22,l(3942,-143,-435,1.12,1.10804979,-3.3173338917,6.2410506616,5),1)
  116. atomlocation(23,l(-1555,-585,4172,0.7,2.3729547408,31.120373518,6.2714000722,6),1)
  117. atomlocation(24,l(-4356,-585,2349,0.7,3.1227437864,29.863778211,5.5113180245,6),1)
  118. atomlocation(25,l(753,1678,1995,0.375,5.2371341326,-0.60975405079,0.33503804318,1),1)
  119. atomlocation(26,l(-1571,1678,3871,0.375,5.4810233412,-1.8663493516,6.1688841656,1),1)
  120. atomlocation(27,l(-1491,390,5171,0.375,5.4906487194,-1.8553903052,6.1741846518,1),1)
  121. atomlocation(28,l(-5271,408,2709,0.375,4.7386140342,-3.1150853351,5.5189623105,1),1)
  122. atomlocation(29,l(-4075,1678,2241,0.375,4.7312342956,-3.1229446587,5.5217412778,1),1)
  123. atomlocation(30,l(-2272,-547,-373,0.375,4.9743283381,-5.7362346711,5.6587964678,1),1)
  124. atomlocation(31,l(520,-1858,1959,0.375,4.9279945769,-3.7016685624,0.68518513638,1),1)
  125. atomlocation(32,l(1515,-381,3355,0.375,6.1415655318,-1.5628000171,0.0005653744071,1),1)
  126. atomlocation(33,l(5839,-1076,211,0.58,0.63881106095,2.464296518,6.1918849994,6),1)
  127. atomlocation(34,l(7760,-2055,695,1.12,0.15972010484,2.0141376633,6.2319726461,5),1)
  128. atomlocation(35,l(8371,-1650,2780,0.58,6.0985677186,1.5067684445,6.2778480598,6),1)
  129. atomlocation(36,l(8982,-1244,4865,1.12,5.757586368,0.97506818707,0.012678043311,5),1)
  130. atomlocation(37,l(7240,-95,5979,0.7,0.37494690819,30.065531541,0.68660925407,6),1)
  131. atomlocation(38,l(7519,-4388,383,0.7,3.3015204504,25.440422792,6.2807858731,6),1)
  132. atomlocation(39,l(9412,-1227,-783,0.7,0.78768191342,-5.9023301207,0.1059283969,6),1)
  133. atomlocation(40,l(9412,-3290,5971,0.7,2.6159600847,31.437784669,0.0000072716659392,6),1)
  134. atomlocation(41,l(10938,88,4879,0.7,5.1862818435,-0.35672946093,0.30818623638,6),1)
  135. atomlocation(42,l(3177,-1198,-2410,0.7,4.2499960479,25.153755811,6.2831824563,6),1)
  136. atomlocation(43,l(4301,2157,-859,0.7,1.4518973918,-5.7651138321,0.84917598153,6),1)
  137. commandactive("Files")
  138. viewshown("Top")
  139. grid(8)
  140. atom_count(44)
  141. valencelist(35,2,-6)
  142. valencelist(36,1,5)
  143. valencelist(34,1,5)
  144. valencelist(33,2,-6)
  145. valencelist(22,1,5)
  146. valencelist(21,2,-6)
  147. valencelist(20,1,4)
  148. valencelist(19,2,-6)
  149. valencelist(18,1,4)
  150. valencelist(17,1,4)
  151. valencelist(16,1,4)
  152. valencelist(15,1,4)
  153. valencelist(10,1,5)
  154. valencelist(1,2,4)
  155. valencelist(9,1,5)
  156. valencelist(8,1,4)
  157. valencelist(7,1,5)
  158. valencelist(6,1,5)
  159. valencelist(5,1,4)
  160. valencelist(4,1,5)
  161. valencelist(3,1,4)
  162. valencelist(2,1,4)
  163. valencelist(1,1,4)
  164.