@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439433 39 41 1 SMALL USER_CHARGES @ATOM 1 F1 18.7269 -10.8723 0.2620 F 1 noname -0.1643 2 C1 19.8098 -11.5482 0.5240 C.2 1 noname 0.0352 3 C2 19.7827 -12.9531 0.5161 C.2 1 noname 0.0011 4 C3 21.0087 -10.8732 0.8081 C.2 1 noname 0.0011 5 C4 20.9516 -13.6810 0.7991 C.2 1 noname -0.0124 6 C5 22.1766 -11.6021 1.0931 C.2 1 noname -0.0124 7 C6 22.1566 -13.0140 1.1131 C.2 1 noname -0.0305 8 C7 23.3465 -13.7299 1.3661 C.2 1 noname 0.0458 9 N1 24.4824 -13.4159 0.7162 N.2 1 noname -0.3073 10 C8 23.5894 -14.8558 2.1732 C.2 1 noname 0.0255 11 N2 25.4023 -14.2678 1.0222 N.3 1 noname -0.0381 12 C9 22.7694 -15.5367 3.1292 C.2 1 noname -0.0144 13 C10 24.9153 -15.1728 1.8802 C.2 1 noname -0.0683 14 C11 26.7252 -14.2428 0.5183 C.3 1 noname -0.0398 15 C12 23.1463 -16.8097 3.6242 C.2 1 noname 0.0035 16 C13 21.5854 -14.9657 3.6512 C.2 1 noname -0.0046 17 C14 22.3463 -17.4796 4.5682 C.2 1 noname 0.0163 18 C15 20.8134 -15.6637 4.5922 C.2 1 noname 0.0059 19 N3 21.2123 -16.8856 5.0142 N.2 1 noname -0.2380 20 C16 22.7073 -18.8056 5.0883 C.3 1 noname 0.0378 21 N4 21.6573 -19.7695 4.7323 N.3 1 noname -0.3142 22 C17 21.9332 -21.0754 5.3443 C.3 1 noname -0.0160 23 H1 18.9167 -13.4491 0.3001 H 1 noname 0.0653 24 H2 21.0367 -9.8532 0.8071 H 1 noname 0.0653 25 H3 20.9176 -14.7009 0.7732 H 1 noname 0.0630 26 H4 23.0415 -11.0951 1.2921 H 1 noname 0.0630 27 H5 25.4563 -15.9367 2.2863 H 1 noname 0.0815 28 H6 26.8482 -13.4007 -0.1625 H 1 noname 0.0453 29 H7 27.4321 -14.1387 1.3423 H 1 noname 0.0453 30 H8 26.9322 -15.1677 -0.0205 H 1 noname 0.0453 31 H9 23.9932 -17.2696 3.2913 H 1 noname 0.0648 32 H10 21.2864 -14.0297 3.3883 H 1 noname 0.0645 33 H11 19.9594 -15.2476 4.9653 H 1 noname 0.0839 34 H12 23.6602 -19.1405 4.6733 H 1 noname 0.0495 35 H13 22.7972 -18.7395 6.1733 H 1 noname 0.0495 36 H14 20.7872 -19.4205 5.1413 H 1 noname 0.1222 37 H15 21.1322 -21.7673 5.0843 H 1 noname 0.0391 38 H16 22.8791 -21.4693 4.9724 H 1 noname 0.0391 39 H17 21.9802 -20.9783 6.4303 H 1 noname 0.0391 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 23 1 6 4 6 2 7 4 24 1 8 5 7 2 9 5 25 1 10 6 7 1 11 6 26 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 27 1 23 14 28 1 24 14 29 1 25 14 30 1 26 15 17 1 27 15 31 1 28 16 18 2 29 16 32 1 30 17 19 2 31 17 20 1 32 18 19 1 33 18 33 1 34 20 21 1 35 20 34 1 36 20 35 1 37 21 22 1 38 21 36 1 39 22 37 1 40 22 38 1 41 22 39 1 @SUBSTRUCTURE 1 noname 1