@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444663 101 102 1 SMALL USER_CHARGES @ATOM 1 F1 32.0009 -21.9415 -2.7356 F 1 noname -0.1655 2 C1 32.0479 -21.4114 -1.5456 C.2 1 noname 0.0228 3 C2 33.2818 -21.0194 -0.9985 C.2 1 noname -0.0072 4 C3 30.8648 -21.2284 -0.8085 C.2 1 noname -0.0072 5 C4 33.3308 -20.4384 0.2804 C.2 1 noname -0.0402 6 C5 30.9158 -20.6484 0.4704 C.2 1 noname -0.0402 7 C6 32.1487 -20.2453 1.0245 C.2 1 noname -0.0565 8 C7 32.2027 -19.6103 2.3585 C.3 1 noname -0.0024 9 C8 32.6426 -18.1263 2.2906 C.3 1 noname 0.1040 10 N1 32.6796 -17.5352 3.5836 N.3 1 noname -0.0652 11 C9 31.7316 -17.3512 1.4877 C.2 1 noname 0.1442 12 C10 33.6055 -17.8392 4.5187 C.2 1 noname 0.0499 13 O1 32.1455 -16.6952 0.5457 O.2 1 noname -0.2493 14 O2 30.4385 -17.3582 1.7477 O.3 1 noname -0.2138 15 O3 34.4694 -18.7171 4.2997 O.2 1 noname -0.2898 16 C11 33.6375 -17.0931 5.7897 C.3 1 noname 0.0960 17 N2 33.9274 -15.7341 5.4758 N.3 1 noname -0.0660 18 C12 32.3014 -17.2031 6.5657 C.3 1 noname 0.0452 19 C13 34.2943 -14.8051 6.3848 C.2 1 noname 0.0494 20 C14 31.9894 -18.5770 6.9788 C.2 1 noname 0.0335 21 O4 34.3993 -15.1060 7.5958 O.2 1 noname -0.2900 22 C15 34.5933 -13.4451 5.9008 C.3 1 noname 0.0880 23 O5 30.9694 -19.1520 6.5428 O.2 1 noname -0.2978 24 N3 32.7893 -19.2309 7.8288 N.3 1 noname -0.0903 25 N4 33.4002 -12.8760 5.3719 N.3 1 noname -0.0664 26 C16 35.1363 -12.5210 7.0129 C.3 1 noname -0.0265 27 C17 33.1162 -12.7850 4.0540 C.2 1 noname 0.0493 28 C18 35.3992 -11.0830 6.5199 C.3 1 noname -0.0451 29 O6 33.9112 -13.2469 3.2030 O.2 1 noname -0.2900 30 C19 31.8162 -12.2159 3.6500 C.3 1 noname 0.0878 31 C20 35.8452 -10.2150 7.7059 C.3 1 noname -0.0627 32 C21 36.4751 -11.0450 5.4220 C.3 1 noname -0.0627 33 N5 31.6531 -12.2629 2.2361 N.3 1 noname -0.0707 34 C22 30.6502 -12.9719 4.3331 C.3 1 noname -0.0271 35 C23 30.7241 -11.5448 1.5692 C.2 1 noname 0.0426 36 C24 30.5881 -14.4558 3.9201 C.3 1 noname -0.0314 37 O7 30.0211 -10.6998 2.1662 O.2 1 noname -0.2947 38 C25 30.4981 -11.7928 0.1392 C.3 1 noname 0.0464 39 C26 29.4731 -15.1878 4.6782 C.3 1 noname 0.0419 40 C27 29.8571 -13.1087 -0.0806 C.2 1 noname -0.0622 41 N6 29.4681 -16.5127 4.2782 N.2 1 noname -0.2644 42 C28 28.5680 -13.3687 0.4283 C.2 1 noname -0.0451 43 C29 30.5180 -14.1207 -0.8066 C.2 1 noname -0.0451 44 C30 28.7000 -17.4557 4.7572 C.2 1 noname -0.1445 45 C31 27.9620 -14.6216 0.2374 C.2 1 noname -0.0287 46 C32 29.9050 -15.3686 -1.0105 C.2 1 noname -0.0287 47 N7 27.8100 -17.2246 5.7323 N.3 1 noname -0.1342 48 N8 28.8210 -18.6886 4.2563 N.3 1 noname -0.1342 49 C33 28.6249 -15.6336 -0.4785 C.2 1 noname 0.0001 50 O8 27.9869 -16.8345 -0.5934 O.3 1 noname -0.2753 51 C34 28.5589 -17.9604 -1.2634 C.3 1 noname 0.0505 52 C35 27.5868 -19.1393 -1.1533 C.3 1 noname -0.0410 53 H1 34.1438 -21.1534 -1.5284 H 1 noname 0.0653 54 H2 29.9668 -21.5123 -1.2005 H 1 noname 0.0653 55 H3 34.2307 -20.1523 0.6695 H 1 noname 0.0626 56 H4 30.0508 -20.5083 0.9945 H 1 noname 0.0626 57 H5 31.2247 -19.6583 2.8416 H 1 noname 0.0337 58 H6 32.9046 -20.1702 2.9786 H 1 noname 0.0337 59 H7 33.6405 -18.0622 1.8506 H 1 noname 0.0581 60 H8 32.0295 -16.8442 3.7897 H 1 noname 0.1319 61 H9 29.9095 -16.7952 1.1488 H 1 noname 0.2213 62 H10 34.4474 -17.4921 6.4037 H 1 noname 0.0571 63 H11 33.9014 -15.4591 4.5448 H 1 noname 0.1319 64 H12 31.4904 -16.8231 5.9438 H 1 noname 0.0382 65 H13 32.3544 -16.5891 7.4648 H 1 noname 0.0382 66 H14 35.3633 -13.5390 5.1329 H 1 noname 0.0566 67 H15 32.5703 -20.1379 8.0928 H 1 noname 0.1271 68 H16 33.5823 -18.7989 8.1808 H 1 noname 0.1271 69 H17 32.7322 -12.5610 5.9989 H 1 noname 0.1318 70 H18 36.0672 -12.9380 7.4019 H 1 noname 0.0290 71 H19 34.4092 -12.4800 7.8269 H 1 noname 0.0290 72 H20 34.4752 -10.6640 6.1199 H 1 noname 0.0298 73 H21 31.8011 -11.1759 3.9811 H 1 noname 0.0566 74 H22 36.7751 -10.6029 8.1219 H 1 noname 0.0233 75 H23 35.0741 -10.2239 8.4770 H 1 noname 0.0233 76 H24 36.0001 -9.1889 7.3720 H 1 noname 0.0233 77 H25 36.1141 -11.5539 4.5280 H 1 noname 0.0233 78 H26 37.3851 -11.5319 5.7740 H 1 noname 0.0233 79 H27 36.6991 -10.0089 5.1650 H 1 noname 0.0233 80 H28 32.2221 -12.8658 1.7312 H 1 noname 0.1318 81 H29 29.7091 -12.4939 4.0611 H 1 noname 0.0288 82 H30 30.7611 -12.9068 5.4171 H 1 noname 0.0288 83 H31 31.5381 -14.9408 4.1472 H 1 noname 0.0286 84 H32 30.4001 -14.5258 2.8472 H 1 noname 0.0286 85 H33 29.8471 -11.0148 -0.2626 H 1 noname 0.0411 86 H34 31.4580 -11.7307 -0.3766 H 1 noname 0.0411 87 H35 28.5121 -14.7237 4.4482 H 1 noname 0.0515 88 H36 29.6640 -15.1207 5.7502 H 1 noname 0.0515 89 H37 28.0700 -12.6467 0.9513 H 1 noname 0.0626 90 H38 31.4520 -13.9537 -1.1815 H 1 noname 0.0626 91 H39 27.0360 -14.7996 0.6264 H 1 noname 0.0650 92 H40 30.4049 -16.0906 -1.5285 H 1 noname 0.0650 93 H41 27.7159 -16.3326 6.0993 H 1 noname 0.1267 94 H42 27.2630 -17.9476 6.0733 H 1 noname 0.1267 95 H43 29.4640 -18.8546 3.5503 H 1 noname 0.1267 96 H44 28.2779 -19.4126 4.6004 H 1 noname 0.1267 97 H45 28.7208 -17.7293 -2.3173 H 1 noname 0.0568 98 H46 29.5068 -18.2384 -0.7993 H 1 noname 0.0568 99 H47 28.0068 -20.0103 -1.6563 H 1 noname 0.0254 100 H48 27.4168 -19.3753 -0.1033 H 1 noname 0.0254 101 H49 26.6388 -18.8743 -1.6213 H 1 noname 0.0254 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 53 1 6 4 6 2 7 4 54 1 8 5 7 2 9 5 55 1 10 6 7 1 11 6 56 1 12 7 8 1 13 8 9 1 14 8 57 1 15 8 58 1 16 9 10 1 17 9 11 1 18 9 59 1 19 10 12 1 20 10 60 1 21 11 13 2 22 11 14 1 23 12 15 2 24 12 16 1 25 14 61 1 26 16 17 1 27 16 18 1 28 16 62 1 29 17 19 1 30 17 63 1 31 18 20 1 32 18 64 1 33 18 65 1 34 19 21 2 35 19 22 1 36 20 23 2 37 20 24 1 38 22 25 1 39 22 26 1 40 22 66 1 41 24 67 1 42 24 68 1 43 25 27 1 44 25 69 1 45 26 28 1 46 26 70 1 47 26 71 1 48 27 29 2 49 27 30 1 50 28 31 1 51 28 32 1 52 28 72 1 53 30 33 1 54 30 34 1 55 30 73 1 56 31 74 1 57 31 75 1 58 31 76 1 59 32 77 1 60 32 78 1 61 32 79 1 62 33 35 1 63 33 80 1 64 34 36 1 65 34 81 1 66 34 82 1 67 35 37 2 68 35 38 1 69 36 39 1 70 36 83 1 71 36 84 1 72 38 40 1 73 38 85 1 74 38 86 1 75 39 41 1 76 39 87 1 77 39 88 1 78 40 42 2 79 40 43 1 80 41 44 2 81 42 45 1 82 42 89 1 83 43 46 2 84 43 90 1 85 44 47 1 86 44 48 1 87 45 49 2 88 45 91 1 89 46 49 1 90 46 92 1 91 47 93 1 92 47 94 1 93 48 95 1 94 48 96 1 95 49 50 1 96 50 51 1 97 51 52 1 98 51 97 1 99 51 98 1 100 52 99 1 101 52 100 1 102 52 101 1 @SUBSTRUCTURE 1 noname 1