@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444662 104 105 1 SMALL USER_CHARGES @ATOM 1 F1 11.3487 -27.9995 -0.5299 F 1 noname -0.1655 2 C1 12.5437 -28.0135 -0.0119 C.2 1 noname 0.0228 3 C2 13.6626 -28.2604 -0.8258 C.2 1 noname -0.0072 4 C3 12.7177 -27.7784 1.3631 C.2 1 noname -0.0072 5 C4 14.9516 -28.2714 -0.2667 C.2 1 noname -0.0402 6 C5 14.0076 -27.7884 1.9201 C.2 1 noname -0.0402 7 C6 15.1346 -28.0363 1.1112 C.2 1 noname -0.0565 8 C7 16.4905 -28.0193 1.6963 C.3 1 noname -0.0024 9 C8 16.7095 -29.0632 2.8183 C.3 1 noname 0.1040 10 N1 18.0004 -28.8591 3.3823 N.3 1 noname -0.0652 11 C9 16.6324 -30.4041 2.2923 C.2 1 noname 0.1442 12 C10 18.3094 -27.8001 4.1634 C.2 1 noname 0.0499 13 O1 15.7804 -31.1821 2.6914 O.2 1 noname -0.2493 14 O2 17.4844 -30.8151 1.3714 O.3 1 noname -0.2138 15 O3 17.4193 -26.9990 4.5325 O.2 1 noname -0.2898 16 C11 19.7174 -27.5250 4.4875 C.3 1 noname 0.0960 17 N2 20.0783 -26.3220 3.8135 N.3 1 noname -0.0660 18 C12 19.9323 -27.3620 6.0075 C.3 1 noname 0.0452 19 C13 20.8863 -26.2769 2.7336 C.2 1 noname 0.0494 20 C14 21.3403 -27.0909 6.3246 C.2 1 noname 0.0335 21 O4 21.3732 -27.3239 2.2516 O.2 1 noname -0.2900 22 C15 21.2102 -24.9779 2.1136 C.3 1 noname 0.0880 23 O5 22.2203 -27.9319 6.0446 O.2 1 noname -0.2978 24 N3 21.7063 -25.9378 6.8996 N.3 1 noname -0.0903 25 N4 20.0542 -24.2048 1.7926 N.3 1 noname -0.0664 26 C16 22.0722 -24.1198 3.0676 C.3 1 noname -0.0265 27 C17 19.0531 -24.5958 0.9687 C.2 1 noname 0.0493 28 C18 23.3812 -24.7948 3.5357 C.3 1 noname -0.0451 29 O6 19.0491 -25.7387 0.4577 O.2 1 noname -0.2900 30 C19 17.9341 -23.6697 0.7127 C.3 1 noname 0.0878 31 C20 24.3061 -25.1167 2.3517 C.3 1 noname -0.0627 32 C21 24.1051 -23.8627 4.5198 C.3 1 noname -0.0627 33 N5 17.7050 -23.6107 -0.6911 N.3 1 noname -0.0707 34 C22 16.6470 -24.1237 1.4358 C.3 1 noname -0.0271 35 C23 16.9809 -22.6416 -1.2921 C.2 1 noname 0.0426 36 C24 16.7979 -24.0867 2.9698 C.3 1 noname -0.0314 37 O7 16.5159 -21.6886 -0.6281 O.2 1 noname -0.2947 38 C25 16.7399 -22.7016 -2.7391 C.3 1 noname 0.0464 39 C26 15.5589 -24.6526 3.6769 C.3 1 noname 0.0419 40 C27 15.8708 -23.8406 -3.1030 C.2 1 noname -0.0622 41 N6 14.4248 -23.9265 3.3509 N.2 1 noname -0.2644 42 C28 14.5228 -23.8685 -2.6880 C.2 1 noname -0.0451 43 C29 16.3648 -24.9046 -3.8850 C.2 1 noname -0.0451 44 C30 13.2118 -24.2295 3.7340 C.2 1 noname -0.1445 45 C31 13.6857 -24.9365 -3.0499 C.2 1 noname -0.0287 46 C32 15.5268 -25.9735 -4.2450 C.2 1 noname -0.0287 47 N7 12.9547 -25.3064 4.4920 N.3 1 noname -0.1342 48 N8 12.1997 -23.4414 3.3530 N.3 1 noname -0.1342 49 C33 14.1807 -25.9964 -3.8378 C.2 1 noname 0.0001 50 O8 13.4216 -27.0574 -4.2408 O.3 1 noname -0.2751 51 C34 12.0015 -27.0964 -4.0617 C.3 1 noname 0.0531 52 C35 11.4405 -28.3914 -4.6647 C.3 1 noname -0.0319 53 C36 11.9725 -29.6253 -3.9236 C.3 1 noname -0.0632 54 H1 13.5446 -28.4303 -1.8248 H 1 noname 0.0653 55 H2 11.9096 -27.5993 1.9601 H 1 noname 0.0653 56 H3 15.7576 -28.4443 -0.8687 H 1 noname 0.0626 57 H4 14.1236 -27.6113 2.9182 H 1 noname 0.0626 58 H5 17.2425 -28.1822 0.9203 H 1 noname 0.0337 59 H6 16.6635 -27.0272 2.1093 H 1 noname 0.0337 60 H7 15.9545 -28.9451 3.5983 H 1 noname 0.0581 61 H8 18.7104 -29.4721 3.1354 H 1 noname 0.1319 62 H9 17.3334 -31.7390 1.0834 H 1 noname 0.2213 63 H10 20.3213 -28.3680 4.1405 H 1 noname 0.0571 64 H11 19.6903 -25.4899 4.1246 H 1 noname 0.1319 65 H12 19.6353 -28.2809 6.5166 H 1 noname 0.0382 66 H13 19.3123 -26.5429 6.3776 H 1 noname 0.0382 67 H14 21.7742 -25.1538 1.1956 H 1 noname 0.0566 68 H15 22.6412 -25.7758 7.0946 H 1 noname 0.1271 69 H16 21.0392 -25.2708 7.1226 H 1 noname 0.1271 70 H17 19.9861 -23.3198 2.1817 H 1 noname 0.1318 71 H18 21.4791 -23.8728 3.9507 H 1 noname 0.0290 72 H19 22.3281 -23.1898 2.5587 H 1 noname 0.0290 73 H20 23.1491 -25.7217 4.0628 H 1 noname 0.0298 74 H21 18.2090 -22.6776 1.0778 H 1 noname 0.0566 75 H22 24.4971 -24.2137 1.7708 H 1 noname 0.0233 76 H23 23.8440 -25.8677 1.7128 H 1 noname 0.0233 77 H24 25.2530 -25.5107 2.7238 H 1 noname 0.0233 78 H25 23.4570 -23.6547 5.3718 H 1 noname 0.0233 79 H26 24.3611 -22.9247 4.0258 H 1 noname 0.0233 80 H27 25.0171 -24.3417 4.8778 H 1 noname 0.0233 81 H28 18.0810 -24.3136 -1.2451 H 1 noname 0.1318 82 H29 16.3819 -25.1297 1.1129 H 1 noname 0.0288 83 H30 15.8319 -23.4536 1.1608 H 1 noname 0.0288 84 H31 16.9579 -23.0556 3.2899 H 1 noname 0.0286 85 H32 17.6579 -24.6856 3.2699 H 1 noname 0.0286 86 H33 16.2598 -21.7766 -3.0640 H 1 noname 0.0411 87 H34 17.7058 -22.7736 -3.2431 H 1 noname 0.0411 88 H35 15.7228 -24.6115 4.7550 H 1 noname 0.0515 89 H36 15.4308 -25.6936 3.3820 H 1 noname 0.0515 90 H37 14.1478 -23.1065 -2.1219 H 1 noname 0.0626 91 H38 17.3367 -24.9015 -4.1969 H 1 noname 0.0626 92 H39 12.7147 -24.9355 -2.7398 H 1 noname 0.0650 93 H40 15.8967 -26.7355 -4.8129 H 1 noname 0.0650 94 H41 13.6837 -25.8814 4.7711 H 1 noname 0.1267 95 H42 12.0467 -25.5094 4.7601 H 1 noname 0.1267 96 H43 12.3817 -22.6634 2.8041 H 1 noname 0.1267 97 H44 11.2917 -23.6454 3.6231 H 1 noname 0.1267 98 H45 11.7495 -27.0573 -3.0017 H 1 noname 0.0571 99 H46 11.5415 -26.2473 -4.5717 H 1 noname 0.0571 100 H47 10.3534 -28.3763 -4.5926 H 1 noname 0.0287 101 H48 11.7255 -28.4503 -5.7156 H 1 noname 0.0287 102 H49 11.5714 -30.5263 -4.3856 H 1 noname 0.0231 103 H50 13.0614 -29.6493 -3.9806 H 1 noname 0.0231 104 H51 11.6624 -29.5893 -2.8785 H 1 noname 0.0231 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 54 1 6 4 6 2 7 4 55 1 8 5 7 2 9 5 56 1 10 6 7 1 11 6 57 1 12 7 8 1 13 8 9 1 14 8 58 1 15 8 59 1 16 9 10 1 17 9 11 1 18 9 60 1 19 10 12 1 20 10 61 1 21 11 13 2 22 11 14 1 23 12 15 2 24 12 16 1 25 14 62 1 26 16 17 1 27 16 18 1 28 16 63 1 29 17 19 1 30 17 64 1 31 18 20 1 32 18 65 1 33 18 66 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 67 1 41 24 68 1 42 24 69 1 43 25 27 1 44 25 70 1 45 26 28 1 46 26 71 1 47 26 72 1 48 27 29 2 49 27 30 1 50 28 31 1 51 28 32 1 52 28 73 1 53 30 33 1 54 30 34 1 55 30 74 1 56 31 75 1 57 31 76 1 58 31 77 1 59 32 78 1 60 32 79 1 61 32 80 1 62 33 35 1 63 33 81 1 64 34 36 1 65 34 82 1 66 34 83 1 67 35 37 2 68 35 38 1 69 36 39 1 70 36 84 1 71 36 85 1 72 38 40 1 73 38 86 1 74 38 87 1 75 39 41 1 76 39 88 1 77 39 89 1 78 40 42 2 79 40 43 1 80 41 44 2 81 42 45 1 82 42 90 1 83 43 46 2 84 43 91 1 85 44 47 1 86 44 48 1 87 45 49 2 88 45 92 1 89 46 49 1 90 46 93 1 91 47 94 1 92 47 95 1 93 48 96 1 94 48 97 1 95 49 50 1 96 50 51 1 97 51 52 1 98 51 98 1 99 51 99 1 100 52 53 1 101 52 100 1 102 52 101 1 103 53 102 1 104 53 103 1 105 53 104 1 @SUBSTRUCTURE 1 noname 1