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Text File  |  1993-10-10  |  3KB  |  161 lines
  1. ;Hodgkin:Desktop Folder:•Cholesterol
  2. ;Stick color
  3. 2(0.700, 0.700, 0.700)
  4. ;Model
  5. BS
  6. C=1.500,0.600(0.500,0.500,0.500)
  7. O=1.400,0.560(1.000,0.000,0.000)
  8. H=0.900,0.360(1.000,1.000,1.000)
  9. C1:   6.6939   1.9797   4.9420
  10. C2:   5.9149   1.5670   3.6913
  11. C3:   6.2823   0.1458   3.3071
  12. C4:   5.9500  -0.8060   4.4671
  13. C5:   6.6277  -0.3738   5.7375
  14. C6:   7.2846  -1.2780   6.4548
  15. C7:   7.9960  -0.9766   7.7345
  16. C8:   7.6091   0.3668   8.3638
  17. C9:   7.4806   1.4220   7.2675
  18. C10:   6.4433   1.0517   6.1809
  19. C11:   7.2599   2.8149   7.8702
  20. C12:   8.2674   3.1773   8.9633
  21. C13:   8.2829   2.1609  10.0827
  22. C14:   8.6140   0.8149   9.4093
  23. C15:   8.9061  -0.1317  10.5744
  24. C16:   9.6396   0.7636  11.5836
  25. C17:   9.4929   2.2307  11.0822
  26. C18:   6.9665   2.1300  10.8586
  27. C19:   4.9931   1.2515   6.6747
  28. C20:   9.4280   3.2435  12.2435
  29. C21:   9.1813   4.6806  11.7714
  30. C22:  10.7457   3.1074  13.0800
  31. C23:  10.6769   3.8101  14.4194
  32. C24:  11.9648   3.5661  15.2434
  33. C25:  11.9817   4.0160  16.6299
  34. C26:  13.3488   3.8056  17.2244
  35. C27:  10.8288   4.1061  17.4046
  36. O1:   5.4696  -0.3023   2.1712
  37. H1:   7.5170   1.9709   4.6849
  38. H2:   6.4654   2.7928   5.2012
  39. H3:   5.0373   1.5555   3.7803
  40. H4:   6.0499   2.1653   2.9144
  41. H5:   7.0755   0.0088   3.0661
  42. H6:   6.1927  -1.6704   4.2173
  43. H7:   5.0243  -0.8396   4.5755
  44. H8:   7.4520  -2.0416   6.1165
  45. H9:   8.9970  -1.1843   7.5047
  46. H10:   7.7247  -1.7588   8.3407
  47. H11:   6.7769   0.1591   8.8245
  48. H12:   8.2440   1.4318   6.8423
  49. H13:   6.4134   2.8193   8.2547
  50. H14:   7.2703   3.5440   7.2309
  51. H15:   8.0882   3.9329   9.3240
  52. H16:   9.1268   3.2170   8.5533
  53. H17:   9.3605   0.8926   8.9651
  54. H18:   9.4644  -0.8043  10.3000
  55. H19:   7.9843  -0.5303  10.8513
  56. H20:  10.5419   0.4861  11.6917
  57. H21:   9.1788   0.6187  12.4965
  58. H22:  10.2953   2.5719  10.5485
  59. H23:   6.7640   2.9607  11.2417
  60. H24:   6.2836   1.9444  10.3228
  61. H25:   7.0236   1.5908  11.5578
  62. H26:   4.7517   2.1123   6.8036
  63. H27:   4.3881   0.8926   5.9794
  64. H28:   4.8555   0.7512   7.4072
  65. H29:   8.5945   3.0579  12.7869
  66. H30:   9.8798   4.8255  11.2194
  67. H31:   8.1791   4.7107  11.4860
  68. H32:   9.4254   5.1084  12.5583
  69. H33:  11.4377   3.6855  12.6393
  70. H34:  10.9963   2.3597  13.1514
  71. H35:   9.9967   3.6059  15.0349
  72. H36:  10.5549   4.7637  14.3312
  73. H37:  12.6581   3.9771  14.8568
  74. H38:  12.0609   2.5542  15.4018
  75. H39:  11.7753   5.0465  16.4851
  76. H40:  13.5539   2.9519  17.2356
  77. H41:  14.0083   4.2511  16.6281
  78. H42:  13.5020   4.2953  17.9357
  79. H43:  10.1395   4.6665  16.9421
  80. H44:  10.9703   4.7549  18.1446
  81. H45:  10.7497   3.3054  18.0190
  82. H46:   5.7117  -1.2389   1.9179
  83. ;Bonds
  84. C1,C2
  85. C1,C10
  86. C1,H1
  87. C1,H2
  88. C2,C3
  89. C2,H3
  90. C2,H4
  91. C3,C4
  92. C3,O1
  93. C3,H5
  94. C4,C5
  95. C4,H6
  96. C4,H7
  97. C5,C6
  98. C5,C10
  99. C6,C7
  100. C6,H8
  101. C7,C8
  102. C7,H9
  103. C7,H10
  104. C8,C9
  105. C8,C14
  106. C8,H11
  107. C9,C10
  108. C9,C11
  109. C9,H12
  110. C10,C19
  111. C11,C12
  112. C11,H13
  113. C11,H14
  114. C12,C13
  115. C12,H15
  116. C12,H16
  117. C13,C14
  118. C13,C17
  119. C13,C18
  120. C14,C15
  121. C14,H17
  122. C15,C16
  123. C15,H18
  124. C15,H19
  125. C16,C17
  126. C16,H20
  127. C16,H21
  128. C17,C20
  129. C17,H22
  130. C18,H23
  131. C18,H24
  132. C18,H25
  133. C19,H26
  134. C19,H27
  135. C19,H28
  136. C20,C21
  137. C20,C22
  138. C20,H29
  139. C21,H30
  140. C21,H31
  141. C21,H32
  142. C22,C23
  143. C22,H33
  144. C22,H34
  145. C23,C24
  146. C23,H35
  147. C23,H36
  148. C24,C25
  149. C24,H37
  150. C24,H38
  151. C25,C26
  152. C25,C27
  153. C25,H39
  154. C26,H40
  155. C26,H41
  156. C26,H42
  157. C27,H43
  158. C27,H44
  159. C27,H45
  160. O1,H46
  161.