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Additional info for Calculator Programming for Chemistry and the Life Sciences

Sample text

O 6 ii 0164 102. Angle 0. 9896 0. 3154 -0. 3 8 9 3 0. 5923 -1. 7 8 6 2 -0. 0164 i 0. 8353 0. 1890 -0. 3 3 6 6 0. 0000 0. 0 0 0 0 0. 0000 cr 0. 9523 0. 1108 -0 1930 1 4852 1 0901 0 0000 2 3105. 107. 9 Dihedral angles u -0 o -Ϊ -0 0164 1. 0164 0 0 -0 1930 1 4352 1 0901 0 0000 2010605. -97. 0 4. 1. 0 9 y 2 1 364 1641 uuuu 0000 10 6 0 5 0 4. 1. 5916 6 0 5 0 4 0 3. -47. 5928 -1. 7362 -0. =; n 4 0 ■": n 2. 1. Li. 0000 4030201. 0149 -1 5475 ° Data from Table 2-3. B for explanation. 6 3154 Angles 0 1108 -0 1930 1 4852 1 0901 0 0000 02 I) 105.

226 4. 99 0. 00 0. 00 il. 0. 419 0. 16 1. 8 2 -2. 60 0. 11 0. 199 1. 147 0. 066 5. 05 -2. 53 -0. 01 10. 0. 789 0. 855 0. 459 1. 34 2. 20 0. 20 C 20. 0. 0 4 8 0. 549 0. 2 2 6 7. 14 1. 02 - 0 . 07 1. 57 - 0 . 09 0. 01 2. ET -1 - 1 . 61 0. 02 1. 79 46 2. COORDINATE TRANSFORMATIONS TABLE 2-8 Structural Parameters of Maleic Hydrazide0 Calculator Printout using Program 22 Dihedral angle Distance 1. 1. 57 -0. 09 0. 01 Angle 1. 1. 57 -0. 09 0. 01 2. 4. 19 -1. 59 0. 02 4. 4. 61 0. 02 102. 1. 79 1. Ö. 7528 1.

226 44. 0. 4547 45. 0. 7465 46. 47. Rotation angles -218. 4415287 -13. 3376565 -33. 90599762 1. 0. 9667 1. 2593 0. 3551 0. 00 0. 00 0. 00 cl. 0. 0743 0. 7087 0. 1831 b. bb 0. 01 0. 00 1. 0. 6785 0. 9017 0. 3691 2. 49 1. 30 -0. 01 0. 4547 0, 7465 0 3333 4. 19 1. 42 0. 00 0 1. -7 cr ■-> 0 1. 141 0 3099 1. 57 -0. 09 Π. 1931 -1 TC ·-. -1. 61 0. 1019 0. 152 4. 19 -1. 59 0. 02 4. 3432 0. 226 4. 99 0. 00 0. 00 il. 0. 419 0. 16 1. 8 2 -2. 60 0. 11 0. 199 1. 147 0. 066 5. 05 -2. 53 -0. 01 10. 0. 789 0. 855 0.

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