# ester # Created by GaussView 4.1.2 # # # @MOLECULE Molecule Name 50 49 SMALL NO_CHARGES @ATOM 1 C1 5.8822 -0.1507 -0.2958 C 2 C2 4.5109 -0.2738 0.3305 C 3 O3 4.3463 -0.6050 1.4679 O 4 H4 5.9372 0.6604 -1.0134 H 5 H5 6.1217 -1.0762 -0.8106 H 6 H6 6.6111 0.0047 0.4860 H 7 N7 3.4628 0.0095 -0.4993 N 8 C8 2.0923 -0.2680 -0.1143 C 9 C9 1.4249 0.8967 0.6315 C 10 O10 0.4160 0.7105 1.2697 O 11 C11 1.2956 -0.6948 -1.3688 C 12 C12 1.8211 -1.9872 -1.9791 C 13 O13 -0.0412 -0.9478 -0.9909 O 14 H14 3.6603 0.1810 -1.4595 H 15 H15 2.0907 -1.0876 0.5892 H 16 H16 1.3095 0.1037 -2.0971 H 17 H17 1.2014 -2.2605 -2.8245 H 18 H18 1.7809 -2.7915 -1.2537 H 19 H19 2.8422 -1.8863 -2.3268 H 20 N20 1.9954 2.0998 0.5245 N 21 C21 1.4558 3.2559 1.2100 C 22 H22 2.8707 2.1709 0.0645 H 23 H23 2.0908 4.1058 1.0003 H 24 H24 1.4234 3.0926 2.2796 H 25 H25 0.4545 3.4714 0.8626 H 26 C26 -1.8740 -2.6742 2.4009 C 27 C27 -2.3466 -2.2690 1.0211 C 28 O28 -2.9128 -3.0311 0.2857 O 29 H29 -2.4769 -2.1800 3.1560 H 30 H30 -0.8405 -2.3859 2.5601 H 31 H31 -1.9771 -3.7439 2.5085 H 32 N32 -2.1141 -0.9670 0.7096 N 33 C33 -2.3205 -0.4539 -0.6252 C 34 C34 -0.9878 -0.0473 -1.2472 C 35 O35 -0.8060 0.9154 -1.9197 O 36 C36 -3.3691 0.6715 -0.7022 C 37 C37 -3.0564 1.8317 0.2585 C 38 C38 -4.7659 0.0879 -0.4640 C 39 C39 -3.8252 3.1166 -0.0554 C 40 H40 -1.4653 -0.4663 1.2789 H 41 H41 -2.6680 -1.2893 -1.2210 H 42 H42 -3.3283 1.0548 -1.7170 H 43 H43 -1.9956 2.0530 0.2246 H 44 H44 -3.2738 1.5202 1.2768 H 45 H45 -4.9870 -0.7044 -1.1721 H 46 H46 -5.5319 0.8475 -0.5733 H 47 H47 -4.8494 -0.3300 0.5338 H 48 H48 -4.8988 2.9844 0.0274 H 49 H49 -3.6085 3.4626 -1.0620 H 50 H50 -3.5430 3.9077 0.6331 H @BOND 1 1 2 1 2 1 4 1 3 1 5 1 4 1 6 1 5 2 3 2 6 2 7 Ar 7 7 8 1 8 7 14 1 9 8 9 1 10 8 11 1 11 8 15 1 12 9 10 2 13 9 20 Ar 14 11 12 1 15 11 13 1 16 11 16 1 17 12 17 1 18 12 18 1 19 12 19 1 20 13 34 Ar 21 20 21 1 22 20 22 1 23 21 23 1 24 21 24 1 25 21 25 1 26 26 27 1 27 26 29 1 28 26 30 1 29 26 31 1 30 27 28 2 31 27 32 Ar 32 32 33 1 33 32 40 1 34 33 34 1 35 33 36 1 36 33 41 1 37 34 35 2 38 36 37 1 39 36 38 1 40 36 42 1 41 37 39 1 42 37 43 1 43 37 44 1 44 38 45 1 45 38 46 1 46 38 47 1 47 39 48 1 48 39 49 1 49 39 50 1