@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439783 76 80 1 SMALL USER_CHARGES @ATOM 1 F1 5.6455 -4.7620 5.3804 F 1 noname -0.1536 2 C1 6.5985 -4.2129 6.0824 C.2 1 noname 0.0621 3 C2 7.6554 -3.5269 5.4475 C.2 1 noname 0.0523 4 C3 6.5604 -4.3029 7.4865 C.2 1 noname 0.0275 5 O1 7.7224 -3.3978 4.0905 O.3 1 noname -0.1901 6 C4 8.6554 -2.9219 6.2285 C.2 1 noname -0.0008 7 C5 7.5724 -3.7178 8.2695 C.2 1 noname -0.0130 8 C6 7.9893 -4.4658 3.2756 C.2 1 noname 0.0164 9 C7 8.6173 -3.0198 7.6285 C.2 1 noname -0.0266 10 N1 7.4733 -3.8018 9.6216 N.3 1 noname -0.1294 11 C8 7.1913 -4.6758 2.1306 C.2 1 noname 0.0038 12 C9 9.0682 -5.3338 3.5396 C.2 1 noname -0.0059 13 C10 8.4883 -4.0757 10.4826 C.2 1 noname 0.0847 14 C11 7.4952 -5.7707 1.2836 C.2 1 noname 0.0407 15 C12 6.0992 -3.8427 1.8097 C.2 1 noname 0.0234 16 C13 9.3292 -6.3967 2.6627 C.2 1 noname -0.0051 17 O2 9.6472 -4.3337 10.0887 O.2 1 noname -0.2617 18 N2 8.2702 -4.0917 11.8127 N.3 1 noname 0.0752 19 N3 8.5432 -6.5797 1.5747 N.2 1 noname -0.2634 20 C14 6.7112 -6.0257 0.1467 C.2 1 noname 0.0346 21 C15 5.3222 -4.0937 0.6657 C.2 1 noname 0.0426 22 N4 7.1401 -3.8227 12.3137 N.2 1 noname -0.2662 23 C16 5.6151 -5.1936 -0.1652 C.2 1 noname 0.0550 24 O3 4.2771 -3.2656 0.3967 O.3 1 noname -0.2657 25 C17 6.9251 -3.8216 13.5758 C.2 1 noname 0.0137 26 O4 4.7891 -5.4126 -1.2291 O.3 1 noname -0.2611 27 C18 4.3651 -2.3926 -0.7321 C.3 1 noname 0.0424 28 C19 5.6891 -3.5156 14.1148 C.2 1 noname -0.0332 29 C20 5.1101 -6.3095 -2.2940 C.3 1 noname 0.0547 30 C21 5.5051 -3.5805 15.5129 C.2 1 noname -0.0369 31 C22 4.5960 -3.1255 13.3068 C.2 1 noname -0.0369 32 C23 3.9610 -6.3115 -3.3120 C.3 1 noname -0.0162 33 C24 4.2610 -3.2685 16.0899 C.2 1 noname -0.0543 34 C25 3.3530 -2.8115 13.8829 C.2 1 noname -0.0543 35 C26 3.6030 -4.8785 -3.7410 C.3 1 noname 0.0004 36 C27 3.1840 -2.8854 15.2750 C.2 1 noname -0.0530 37 N5 2.7480 -4.8504 -4.9460 N.3 1 noname -0.3031 38 C28 1.4049 -5.4024 -4.6609 C.3 1 noname -0.0018 39 C29 2.6309 -3.4524 -5.4119 C.3 1 noname -0.0018 40 C30 0.5289 -5.3843 -5.9218 C.3 1 noname -0.0403 41 C31 1.8029 -3.3723 -6.7019 C.3 1 noname -0.0403 42 C32 0.4038 -3.9543 -6.4628 C.3 1 noname -0.0509 43 H1 5.7924 -4.8008 7.9395 H 1 noname 0.0671 44 H2 9.4163 -2.4148 5.7746 H 1 noname 0.0651 45 H3 9.3523 -2.5748 8.1806 H 1 noname 0.0640 46 H4 6.5933 -3.6807 10.0116 H 1 noname 0.1385 47 H5 9.6612 -5.1907 4.3567 H 1 noname 0.0666 48 H6 5.8602 -3.0507 2.4067 H 1 noname 0.0659 49 H7 10.1091 -7.0287 2.8418 H 1 noname 0.0840 50 H8 9.0122 -4.3037 12.3987 H 1 noname 0.1604 51 H9 6.9331 -6.8256 -0.4452 H 1 noname 0.0674 52 H10 7.6771 -4.0466 14.1858 H 1 noname 0.0859 53 H11 3.4351 -1.8295 -0.8161 H 1 noname 0.0535 54 H12 5.1920 -1.6906 -0.6031 H 1 noname 0.0535 55 H13 4.5150 -2.9596 -1.6511 H 1 noname 0.0535 56 H14 6.0270 -5.9855 -2.7890 H 1 noname 0.0572 57 H15 5.2380 -7.3225 -1.9110 H 1 noname 0.0572 58 H16 6.2770 -3.8565 16.1219 H 1 noname 0.0629 59 H17 4.7010 -3.0645 12.2929 H 1 noname 0.0629 60 H18 4.2640 -6.8895 -4.1860 H 1 noname 0.0303 61 H19 3.0910 -6.7814 -2.8550 H 1 noname 0.0303 62 H20 4.1410 -3.3174 17.1029 H 1 noname 0.0622 63 H21 2.5730 -2.5274 13.2890 H 1 noname 0.0622 64 H22 3.0970 -4.3734 -2.9160 H 1 noname 0.0431 65 H23 4.5329 -4.3484 -3.9559 H 1 noname 0.0431 66 H24 2.2820 -2.6564 15.6930 H 1 noname 0.0622 67 H25 0.9199 -4.8213 -3.8748 H 1 noname 0.0430 68 H26 1.4919 -6.4373 -4.3308 H 1 noname 0.0430 69 H27 2.1589 -2.8383 -4.6419 H 1 noname 0.0430 70 H28 3.6239 -3.0513 -5.6199 H 1 noname 0.0430 71 H29 0.9799 -6.0223 -6.6818 H 1 noname 0.0279 72 H30 -0.4641 -5.7663 -5.6788 H 1 noname 0.0279 73 H31 2.3049 -3.9383 -7.4878 H 1 noname 0.0279 74 H32 1.7149 -2.3303 -7.0118 H 1 noname 0.0279 75 H33 -0.1521 -3.9653 -7.4008 H 1 noname 0.0267 76 H34 -0.1271 -3.3363 -5.7378 H 1 noname 0.0267 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 43 1 8 5 8 1 9 6 9 2 10 6 44 1 11 7 10 1 12 7 9 1 13 8 11 1 14 8 12 2 15 9 45 1 16 10 13 1 17 10 46 1 18 11 14 1 19 11 15 2 20 12 16 1 21 12 47 1 22 13 17 2 23 13 18 1 24 14 19 1 25 14 20 2 26 15 21 1 27 15 48 1 28 16 19 2 29 16 49 1 30 18 22 1 31 18 50 1 32 20 23 1 33 20 51 1 34 21 24 1 35 21 23 2 36 22 25 2 37 23 26 1 38 24 27 1 39 25 28 1 40 25 52 1 41 26 29 1 42 27 53 1 43 27 54 1 44 27 55 1 45 28 30 2 46 28 31 1 47 29 32 1 48 29 56 1 49 29 57 1 50 30 33 1 51 30 58 1 52 31 34 2 53 31 59 1 54 32 35 1 55 32 60 1 56 32 61 1 57 33 36 2 58 33 62 1 59 34 36 1 60 34 63 1 61 35 37 1 62 35 64 1 63 35 65 1 64 36 66 1 65 37 38 1 66 37 39 1 67 38 40 1 68 38 67 1 69 38 68 1 70 39 41 1 71 39 69 1 72 39 70 1 73 40 42 1 74 40 71 1 75 40 72 1 76 41 42 1 77 41 73 1 78 41 74 1 79 42 75 1 80 42 76 1 @SUBSTRUCTURE 1 noname 1