@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439718 37 39 1 SMALL USER_CHARGES @ATOM 1 F1 8.6937 -6.7765 -1.6477 F 1 noname -0.1660 2 C1 8.6476 -7.5965 -0.5476 C.3 1 noname 0.4191 3 F2 8.7116 -6.7724 0.5514 F 1 noname -0.1660 4 F3 9.7917 -8.3565 -0.5826 F 1 noname -0.1660 5 C2 7.4536 -8.4805 -0.4486 C.2 1 noname 0.0116 6 C3 6.4015 -8.5315 -1.3916 C.2 1 noname 0.0556 7 C4 7.3505 -9.3435 0.6654 C.2 1 noname 0.0003 8 N1 5.3634 -9.3774 -1.2005 N.2 1 noname -0.2570 9 N2 6.3425 -7.7844 -2.5036 N.3 1 noname -0.1108 10 C5 6.2624 -10.2255 0.8564 C.2 1 noname -0.0335 11 C6 5.2604 -10.2054 -0.1354 C.2 1 noname 0.0069 12 C7 6.1814 -11.0894 1.9905 C.2 1 noname -0.0295 13 C8 6.6984 -10.6934 3.2486 C.2 1 noname -0.0134 14 C9 5.5843 -12.3704 1.8936 C.2 1 noname -0.0278 15 C10 6.6243 -11.5484 4.3657 C.2 1 noname 0.0122 16 C11 5.5063 -13.2274 3.0046 C.2 1 noname -0.0021 17 C12 6.0253 -12.8213 4.2437 C.2 1 noname 0.0461 18 C13 7.1233 -11.1983 5.6307 C.2 1 noname 0.0272 19 N3 5.9542 -13.6433 5.3178 N.2 1 noname -0.1937 20 N4 7.0212 -12.0673 6.6648 N.2 1 noname -0.2069 21 C14 6.4442 -13.2853 6.5308 C.2 1 noname 0.0930 22 N5 6.3942 -14.0773 7.6249 N.3 1 noname -0.0875 23 C15 5.8621 -15.3203 7.6910 C.2 1 noname 0.1398 24 O1 5.3380 -15.8922 6.7090 O.2 1 noname -0.2746 25 C16 5.8951 -16.0403 8.9640 C.3 1 noname 0.0099 26 H1 8.1085 -9.3304 1.3504 H 1 noname 0.0637 27 H2 5.5844 -7.8813 -3.1005 H 1 noname 0.1258 28 H3 7.0434 -7.1534 -2.7205 H 1 noname 0.1258 29 H4 4.4373 -10.8054 -0.0614 H 1 noname 0.0846 30 H5 7.1253 -9.7713 3.3606 H 1 noname 0.0636 31 H6 5.2093 -12.7004 1.0035 H 1 noname 0.0629 32 H7 5.0743 -14.1474 2.9077 H 1 noname 0.0645 33 H8 7.5672 -10.2902 5.7798 H 1 noname 0.0847 34 H9 6.7761 -13.7182 8.4400 H 1 noname 0.1402 35 H10 6.3780 -15.4352 9.7321 H 1 noname 0.0324 36 H11 4.8750 -16.2682 9.2761 H 1 noname 0.0324 37 H12 6.4490 -16.9703 8.8391 H 1 noname 0.0324 @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 26 1 11 8 11 2 12 9 27 1 13 9 28 1 14 10 12 1 15 10 11 1 16 11 29 1 17 12 13 2 18 12 14 1 19 13 15 1 20 13 30 1 21 14 16 2 22 14 31 1 23 15 17 1 24 15 18 2 25 16 17 1 26 16 32 1 27 17 19 2 28 18 20 1 29 18 33 1 30 19 21 1 31 20 21 2 32 21 22 1 33 22 23 1 34 22 34 1 35 23 24 2 36 23 25 1 37 25 35 1 38 25 36 1 39 25 37 1 @SUBSTRUCTURE 1 noname 1