@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444446 29 30 1 SMALL USER_CHARGES @ATOM 1 S1 35.3394 -4.3264 0.7936 S.3 1 noname -0.1441 2 C1 34.4373 -2.8633 0.5777 C.2 1 noname 0.1269 3 C2 36.7664 -3.3493 0.8687 C.2 1 noname 0.0675 4 N1 35.1803 -1.7482 0.5677 N.2 1 noname -0.1841 5 N2 33.0992 -2.7902 0.4297 N.3 1 noname -0.0921 6 C3 38.0134 -3.9603 1.0547 C.2 1 noname 0.1688 7 C4 36.4884 -1.9862 0.7277 C.2 1 noname 0.0817 8 C5 32.2552 -3.8452 0.4307 C.2 1 noname 0.1373 9 O1 39.2204 -3.3562 1.1348 O.3 1 noname -0.2733 10 N3 38.1784 -5.2823 1.1828 N.2 1 noname -0.1338 11 C6 37.4284 -0.8571 0.7398 C.3 1 noname 0.0488 12 O2 32.6431 -5.0272 0.5738 O.2 1 noname -0.2752 13 C7 30.8251 -3.5922 0.2588 C.3 1 noname 0.0099 14 N4 40.1244 -4.2762 1.3089 N.2 1 noname -0.1131 15 C8 39.4954 -5.4593 1.3379 C.2 1 noname 0.1320 16 C9 40.1504 -6.7583 1.5149 C.3 1 noname 0.1447 17 C10 41.1244 -7.0982 0.3689 C.3 1 noname 0.3958 18 F1 41.6464 -8.3482 0.5890 F 1 noname -0.1706 19 F2 40.4803 -7.1172 -0.8450 F 1 noname -0.1706 20 F3 42.1704 -6.2101 0.3130 F 1 noname -0.1706 21 H1 32.7132 -1.9082 0.3137 H 1 noname 0.1394 22 H2 37.1623 -0.1831 1.5559 H 1 noname 0.0296 23 H3 37.3473 -0.3181 -0.2041 H 1 noname 0.0296 24 H4 38.4593 -1.1721 0.8728 H 1 noname 0.0296 25 H5 30.6540 -3.1031 -0.7001 H 1 noname 0.0324 26 H6 30.4700 -2.9471 1.0628 H 1 noname 0.0324 27 H7 30.2720 -4.5322 0.2838 H 1 noname 0.0324 28 H8 40.6953 -6.7482 2.4600 H 1 noname 0.0443 29 H9 39.3833 -7.5322 1.5659 H 1 noname 0.0443 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 1 6 3 7 2 7 4 7 1 8 5 8 1 9 5 21 1 10 6 9 1 11 6 10 2 12 7 11 1 13 8 12 2 14 8 13 1 15 9 14 1 16 10 15 1 17 11 22 1 18 11 23 1 19 11 24 1 20 13 25 1 21 13 26 1 22 13 27 1 23 14 15 2 24 15 16 1 25 16 17 1 26 16 28 1 27 16 29 1 28 17 18 1 29 17 19 1 30 17 20 1 @SUBSTRUCTURE 1 noname 1