@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444250 60 62 1 SMALL USER_CHARGES @ATOM 1 F1 13.8822 -23.9051 7.4173 F 1 noname -0.1661 2 C1 13.7172 -23.1200 6.2993 C.3 1 noname 0.4161 3 F2 14.8572 -23.2580 5.5433 F 1 noname -0.1661 4 F3 13.6382 -21.8179 6.7324 F 1 noname -0.1661 5 C2 12.5191 -23.4630 5.4873 C.2 1 noname -0.0106 6 C3 12.2400 -22.7279 4.3143 C.2 1 noname -0.0198 7 C4 11.6380 -24.5090 5.8444 C.2 1 noname -0.0198 8 C5 11.1159 -23.0239 3.5243 C.2 1 noname -0.0263 9 C6 10.5139 -24.8059 5.0554 C.2 1 noname -0.0263 10 C7 10.2338 -24.0598 3.8964 C.2 1 noname -0.0195 11 N1 9.1447 -24.4098 3.1623 N.3 1 noname -0.1371 12 C8 8.2586 -23.5637 2.5594 C.2 1 noname 0.0956 13 O1 8.4156 -22.3266 2.6835 O.2 1 noname -0.2733 14 C9 7.1596 -24.0707 1.8144 C.2 1 noname 0.0015 15 C10 6.1955 -23.2506 1.1794 C.2 1 noname 0.0799 16 C11 6.9725 -25.4617 1.6614 C.2 1 noname 0.0521 17 N2 5.1794 -23.8146 0.4824 N.2 1 noname -0.2371 18 N3 6.2394 -21.8975 1.2464 N.3 1 noname -0.0930 19 N4 5.9365 -25.9597 0.9494 N.2 1 noname -0.2602 20 C12 5.0363 -25.1516 0.3545 C.2 1 noname 0.0983 21 C13 5.2953 -21.0304 0.6305 C.3 1 noname 0.0129 22 N5 4.0262 -25.6905 -0.3534 N.3 1 noname -0.0670 23 C14 5.4563 -21.0223 -0.9035 C.3 1 noname -0.0349 24 C15 5.5233 -19.6093 1.1765 C.3 1 noname -0.0349 25 C16 3.0521 -24.9025 -1.0184 C.3 1 noname 0.0029 26 C17 4.4682 -20.0343 -1.5434 C.3 1 noname -0.0255 27 C18 4.5352 -18.6202 0.5416 C.3 1 noname -0.0255 28 C19 2.0640 -25.8184 -1.7524 C.3 1 noname -0.0404 29 C20 4.6862 -18.6191 -0.9874 C.3 1 noname 0.0542 30 C21 1.0109 -24.9864 -2.4974 C.3 1 noname -0.0549 31 O2 3.7281 -17.7380 -1.5554 O.3 1 noname -0.3930 32 C22 0.0218 -25.9023 -3.2294 C.3 1 noname -0.0653 33 H1 12.8630 -21.9708 4.0293 H 1 noname 0.0629 34 H2 11.8099 -25.0619 6.6834 H 1 noname 0.0629 35 H3 10.9448 -22.4828 2.6763 H 1 noname 0.0639 36 H4 9.8938 -25.5689 5.3335 H 1 noname 0.0639 37 H5 8.9596 -25.3578 3.0994 H 1 noname 0.1374 38 H6 7.6215 -26.1247 2.0865 H 1 noname 0.0849 39 H7 6.9464 -21.4914 1.7715 H 1 noname 0.1299 40 H8 4.2823 -21.3434 0.8915 H 1 noname 0.0468 41 H9 3.9702 -26.6565 -0.4134 H 1 noname 0.1312 42 H10 6.4753 -20.7313 -1.1614 H 1 noname 0.0283 43 H11 5.2613 -22.0163 -1.3044 H 1 noname 0.0283 44 H12 6.5443 -19.2912 0.9556 H 1 noname 0.0283 45 H13 5.3792 -19.6102 2.2576 H 1 noname 0.0283 46 H14 3.5401 -24.2474 -1.7434 H 1 noname 0.0433 47 H15 2.5101 -24.2944 -0.2923 H 1 noname 0.0433 48 H16 4.6192 -20.0242 -2.6234 H 1 noname 0.0293 49 H17 3.4471 -20.3552 -1.3304 H 1 noname 0.0293 50 H18 4.7322 -17.6191 0.9246 H 1 noname 0.0293 51 H19 3.5161 -18.9071 0.8056 H 1 noname 0.0293 52 H20 1.5660 -26.4654 -1.0273 H 1 noname 0.0279 53 H21 2.6080 -26.4354 -2.4694 H 1 noname 0.0279 54 H22 5.6872 -18.2761 -1.2534 H 1 noname 0.0600 55 H23 1.5049 -24.3413 -3.2254 H 1 noname 0.0264 56 H24 0.4649 -24.3673 -1.7843 H 1 noname 0.0264 57 H25 3.8071 -16.8080 -1.2563 H 1 noname 0.2104 58 H26 -0.4852 -26.5473 -2.5103 H 1 noname 0.0230 59 H27 0.5558 -26.5163 -3.9544 H 1 noname 0.0230 60 H28 -0.7191 -25.2943 -3.7493 H 1 noname 0.0230 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 33 1 9 7 9 2 10 7 34 1 11 8 10 2 12 8 35 1 13 9 10 1 14 9 36 1 15 10 11 1 16 11 12 1 17 11 37 1 18 12 13 2 19 12 14 1 20 14 15 2 21 14 16 1 22 15 17 1 23 15 18 1 24 16 19 2 25 16 38 1 26 17 20 2 27 18 21 1 28 18 39 1 29 19 20 1 30 20 22 1 31 21 23 1 32 21 24 1 33 21 40 1 34 22 25 1 35 22 41 1 36 23 26 1 37 23 42 1 38 23 43 1 39 24 27 1 40 24 44 1 41 24 45 1 42 25 28 1 43 25 46 1 44 25 47 1 45 26 29 1 46 26 48 1 47 26 49 1 48 27 29 1 49 27 50 1 50 27 51 1 51 28 30 1 52 28 52 1 53 28 53 1 54 29 31 1 55 29 54 1 56 30 32 1 57 30 55 1 58 30 56 1 59 31 57 1 60 32 58 1 61 32 59 1 62 32 60 1 @SUBSTRUCTURE 1 noname 1