@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439435 31 33 1 SMALL USER_CHARGES @ATOM 1 F1 15.6908 -0.7804 0.5202 F 1 noname -0.1643 2 C1 16.7857 -1.4644 0.6892 C.2 1 noname 0.0352 3 C2 16.7947 -2.8504 0.4563 C.2 1 noname 0.0011 4 C3 17.9617 -0.8203 1.1123 C.2 1 noname 0.0011 5 C4 17.9767 -3.5883 0.6383 C.2 1 noname -0.0124 6 C5 19.1427 -1.5593 1.2953 C.2 1 noname -0.0124 7 C6 19.1696 -2.9482 1.0404 C.2 1 noname -0.0305 8 C7 20.3546 -3.6812 1.2675 C.2 1 noname 0.0458 9 N1 21.0436 -3.5262 2.4135 N.2 1 noname -0.3073 10 C8 20.9716 -4.6912 0.5075 C.2 1 noname 0.0255 11 N2 22.0155 -4.3752 2.4476 N.3 1 noname -0.0383 12 C9 20.7145 -5.1802 -0.8124 C.2 1 noname -0.0172 13 C10 22.0075 -5.1201 1.3356 C.2 1 noname -0.0686 14 C11 22.9445 -4.4911 3.5096 C.3 1 noname -0.0398 15 C12 19.9145 -4.4701 -1.7384 C.2 1 noname -0.0054 16 C13 21.2995 -6.3911 -1.2583 C.2 1 noname -0.0054 17 C14 19.6944 -4.9791 -3.0273 C.2 1 noname 0.0033 18 C15 21.0524 -6.8651 -2.5563 C.2 1 noname 0.0033 19 N3 20.2634 -6.1511 -3.3933 N.2 1 noname -0.2468 20 H1 15.9416 -3.3253 0.1583 H 1 noname 0.0653 21 H2 17.9596 0.1846 1.2913 H 1 noname 0.0653 22 H3 17.9596 -4.5973 0.4794 H 1 noname 0.0630 23 H4 19.9866 -1.0762 1.6093 H 1 noname 0.0630 24 H5 22.6915 -5.8471 1.1206 H 1 noname 0.0815 25 H6 22.7124 -3.7641 4.2897 H 1 noname 0.0453 26 H7 22.8955 -5.4951 3.9357 H 1 noname 0.0453 27 H8 23.9535 -4.3051 3.1406 H 1 noname 0.0453 28 H9 19.5134 -3.5631 -1.5073 H 1 noname 0.0645 29 H10 21.8924 -6.9491 -0.6443 H 1 noname 0.0645 30 H11 19.1184 -4.4620 -3.6913 H 1 noname 0.0839 31 H12 21.4654 -7.7441 -2.8693 H 1 noname 0.0839 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 20 1 6 4 6 2 7 4 21 1 8 5 7 2 9 5 22 1 10 6 7 1 11 6 23 1 12 7 8 1 13 8 9 2 14 8 10 1 15 9 11 1 16 10 12 1 17 10 13 2 18 11 14 1 19 11 13 1 20 12 15 2 21 12 16 1 22 13 24 1 23 14 25 1 24 14 26 1 25 14 27 1 26 15 17 1 27 15 28 1 28 16 18 2 29 16 29 1 30 17 19 2 31 17 30 1 32 18 19 1 33 18 31 1 @SUBSTRUCTURE 1 noname 1