@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447864 55 59 1 SMALL USER_CHARGES @ATOM 1 F1 12.4369 -9.2956 -0.3464 F 1 noname -0.1628 2 C1 11.7628 -8.1985 -0.5473 C.2 1 noname 0.0342 3 C2 12.2978 -7.1844 -1.3603 C.2 1 noname 0.0091 4 C3 10.4998 -8.0295 0.0486 C.2 1 noname -0.0204 5 C4 11.5697 -6.0024 -1.5783 C.2 1 noname 0.0342 6 C5 9.7627 -6.8464 -0.1662 C.2 1 noname -0.0036 7 F2 12.0637 -5.0613 -2.3323 F 1 noname -0.1628 8 C6 10.3066 -5.8363 -0.9832 C.2 1 noname -0.0204 9 N1 8.5406 -6.6254 0.3757 N.3 1 noname -0.1386 10 C7 7.8805 -7.4953 1.2858 C.3 1 noname 0.0241 11 C8 6.5124 -6.9043 1.6469 C.3 1 noname 0.0662 12 O1 6.6944 -5.5822 2.1639 O.3 1 noname -0.2736 13 C9 5.6474 -4.7611 2.4659 C.2 1 noname -0.0024 14 C10 4.3023 -5.1851 2.5130 C.2 1 noname -0.0299 15 C11 5.9533 -3.4170 2.7410 C.2 1 noname -0.0536 16 C12 3.2692 -4.2700 2.8061 C.2 1 noname -0.0227 17 C13 4.9333 -2.5030 3.0530 C.2 1 noname -0.0537 18 N2 1.9691 -4.6450 2.8921 N.3 1 noname -0.0066 19 C14 3.5962 -2.9309 3.0911 C.2 1 noname -0.0701 20 C15 1.2231 -5.2750 1.9431 C.2 1 noname 0.0218 21 C16 1.5871 -5.5799 0.6231 C.2 1 noname 0.0667 22 C17 -0.1289 -5.6139 2.0752 C.2 1 noname 0.0619 23 O2 2.6981 -5.4029 0.0792 O.2 1 noname -0.2824 24 N3 0.5200 -6.0449 -0.0247 N.3 1 noname 0.0817 25 C18 -0.5260 -6.0579 0.8032 C.2 1 noname 0.0739 26 C19 -0.9810 -5.5229 3.2143 C.2 1 noname -0.0147 27 O3 -1.6590 -6.4608 0.4632 O.2 1 noname -0.2850 28 C20 -0.6880 -5.5039 4.5854 C.2 1 noname -0.0236 29 C21 -2.3780 -5.4328 3.1543 C.2 1 noname -0.0808 30 C22 -1.8961 -5.3468 5.2705 C.2 1 noname -0.0830 31 C23 0.5029 -5.6868 5.3185 C.2 1 noname -0.0371 32 N4 -2.8951 -5.3028 4.3844 N.3 1 noname -0.0528 33 C24 -1.9581 -5.2888 6.6715 C.2 1 noname -0.0434 34 C25 0.4609 -5.6318 6.7255 C.2 1 noname -0.0536 35 C26 -0.7612 -5.4247 7.3986 C.2 1 noname -0.0511 36 H1 13.2158 -7.3064 -1.7923 H 1 noname 0.0684 37 H2 10.1197 -8.7705 0.6387 H 1 noname 0.0670 38 H3 9.7816 -4.9742 -1.1442 H 1 noname 0.0670 39 H4 8.0875 -5.7973 0.1487 H 1 noname 0.1282 40 H5 8.4755 -7.6033 2.1949 H 1 noname 0.0456 41 H6 7.7315 -8.4753 0.8288 H 1 noname 0.0456 42 H7 6.0354 -7.5382 2.3949 H 1 noname 0.0585 43 H8 5.8924 -6.8732 0.7489 H 1 noname 0.0585 44 H9 4.0702 -6.1600 2.3260 H 1 noname 0.0666 45 H10 6.9233 -3.1010 2.7120 H 1 noname 0.0650 46 H11 5.1642 -1.5289 3.2511 H 1 noname 0.0624 47 H12 1.5031 -4.3779 3.6982 H 1 noname 0.1343 48 H13 2.8611 -2.2629 3.3252 H 1 noname 0.0639 49 H14 0.5019 -6.3139 -0.9547 H 1 noname 0.1407 50 H15 -2.9341 -5.4198 2.2983 H 1 noname 0.0795 51 H16 1.3849 -5.8888 4.8545 H 1 noname 0.0629 52 H17 -3.8372 -5.2078 4.5965 H 1 noname 0.1522 53 H18 -2.8502 -5.1647 7.1526 H 1 noname 0.0642 54 H19 1.3189 -5.7567 7.2626 H 1 noname 0.0622 55 H20 -0.7792 -5.3897 8.4187 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 36 1 6 4 6 2 7 4 37 1 8 5 7 1 9 5 8 2 10 6 9 1 11 6 8 1 12 8 38 1 13 9 10 1 14 9 39 1 15 10 11 1 16 10 40 1 17 10 41 1 18 11 12 1 19 11 42 1 20 11 43 1 21 12 13 1 22 13 14 2 23 13 15 1 24 14 16 1 25 14 44 1 26 15 17 2 27 15 45 1 28 16 18 1 29 16 19 2 30 17 19 1 31 17 46 1 32 18 20 1 33 18 47 1 34 19 48 1 35 20 21 1 36 20 22 2 37 21 23 2 38 21 24 1 39 22 25 1 40 22 26 1 41 24 25 1 42 24 49 1 43 25 27 2 44 26 28 1 45 26 29 2 46 28 30 2 47 28 31 1 48 29 32 1 49 29 50 1 50 30 33 1 51 30 32 1 52 31 34 2 53 31 51 1 54 32 52 1 55 33 35 2 56 33 53 1 57 34 35 1 58 34 54 1 59 35 55 1 @SUBSTRUCTURE 1 noname 1