@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448121 49 50 1 SMALL USER_CHARGES @ATOM 1 F1 27.2380 -9.7252 3.6720 F 1 noname -0.1659 2 C1 27.2200 -10.6681 2.6701 C.3 1 noname 0.4206 3 F2 27.7729 -11.8130 3.1921 F 1 noname -0.1659 4 F3 28.0400 -10.2031 1.6702 F 1 noname -0.1659 5 C2 25.8660 -10.9520 2.1312 C.2 1 noname 0.0102 6 C3 25.6610 -11.8960 1.1022 C.2 1 noname 0.0697 7 C4 24.7120 -10.3000 2.6092 C.2 1 noname 0.0404 8 N1 24.4120 -12.1319 0.6323 N.2 1 noname -0.2305 9 N2 26.7059 -12.5729 0.5733 N.3 1 noname -0.0991 10 N3 23.4940 -10.5810 2.0953 N.2 1 noname -0.2542 11 C5 23.3210 -11.4929 1.1093 C.2 1 noname 0.0858 12 C6 26.5629 -13.5289 -0.4646 C.3 1 noname -0.0101 13 N4 22.1220 -11.7998 0.5624 N.3 1 noname 0.0460 14 C7 20.9149 -11.2668 0.8774 C.2 1 noname 0.0261 15 C8 19.7539 -11.4427 0.1385 C.2 1 noname 0.0436 16 C9 20.5219 -10.4648 1.9404 C.2 1 noname -0.0986 17 N5 18.7569 -10.7677 0.7345 N.2 1 noname -0.3219 18 C10 19.6239 -12.2247 -1.0924 C.3 1 noname 0.0485 19 N6 19.2109 -10.1848 1.8034 N.3 1 noname -0.0586 20 C11 18.4279 -9.3658 2.6854 C.3 1 noname 0.1233 21 C12 18.9778 -7.9888 2.6925 C.2 1 noname 0.0498 22 C13 16.9539 -9.3037 2.2175 C.3 1 noname -0.0334 23 C14 18.4258 -9.9937 4.0994 C.3 1 noname -0.0334 24 O1 19.3438 -7.4457 3.7605 O.2 1 noname -0.2882 25 N7 19.1108 -7.3297 1.5226 N.3 1 noname -0.0724 26 C15 19.6568 -6.0247 1.4326 C.3 1 noname -0.0001 27 C16 19.6937 -5.5867 -0.0352 C.3 1 noname -0.0522 28 H1 24.7820 -9.6040 3.3512 H 1 noname 0.0848 29 H2 27.5968 -12.3979 0.9153 H 1 noname 0.1293 30 H3 25.9168 -14.3448 -0.1366 H 1 noname 0.0396 31 H4 26.1318 -13.0578 -1.3505 H 1 noname 0.0396 32 H5 27.5438 -13.9308 -0.7175 H 1 noname 0.0396 33 H6 22.1329 -12.4578 -0.1495 H 1 noname 0.1374 34 H7 21.1199 -10.1328 2.6974 H 1 noname 0.0826 35 H8 18.5948 -12.1766 -1.4503 H 1 noname 0.0297 36 H9 20.2878 -11.8196 -1.8563 H 1 noname 0.0297 37 H10 19.8878 -13.2636 -0.8963 H 1 noname 0.0297 38 H11 16.3688 -8.6767 2.8925 H 1 noname 0.0258 39 H12 16.5288 -10.3077 2.2145 H 1 noname 0.0258 40 H13 16.8918 -8.8947 1.2076 H 1 noname 0.0258 41 H14 18.0388 -11.0116 4.0465 H 1 noname 0.0258 42 H15 17.7918 -9.4086 4.7685 H 1 noname 0.0258 43 H16 19.4368 -10.0206 4.5065 H 1 noname 0.0258 44 H17 18.8328 -7.7786 0.7087 H 1 noname 0.1310 45 H18 19.0417 -5.3247 2.0017 H 1 noname 0.0430 46 H19 20.6727 -6.0187 1.8317 H 1 noname 0.0430 47 H20 20.1097 -4.5807 -0.1021 H 1 noname 0.0243 48 H21 20.3187 -6.2716 -0.6091 H 1 noname 0.0243 49 H22 18.6837 -5.5846 -0.4462 H 1 noname 0.0243 @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 9 1 9 7 10 2 10 7 28 1 11 8 11 2 12 9 12 1 13 9 29 1 14 10 11 1 15 11 13 1 16 12 30 1 17 12 31 1 18 12 32 1 19 13 14 1 20 13 33 1 21 14 15 1 22 14 16 2 23 15 17 2 24 15 18 1 25 16 19 1 26 16 34 1 27 17 19 1 28 18 35 1 29 18 36 1 30 18 37 1 31 19 20 1 32 20 21 1 33 20 22 1 34 20 23 1 35 21 24 2 36 21 25 1 37 22 38 1 38 22 39 1 39 22 40 1 40 23 41 1 41 23 42 1 42 23 43 1 43 25 26 1 44 25 44 1 45 26 27 1 46 26 45 1 47 26 46 1 48 27 47 1 49 27 48 1 50 27 49 1 @SUBSTRUCTURE 1 noname 1