@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444095 62 67 1 SMALL USER_CHARGES @ATOM 1 O1 19.9228 -19.2097 3.1692 O.3 1 noname -0.3369 2 C1 18.8697 -18.4216 2.8272 C.2 1 noname 0.1216 3 C2 20.7218 -18.4696 3.9643 C.2 1 noname 0.0601 4 N1 18.9947 -17.1985 3.3863 N.2 1 noname -0.1862 5 C3 17.8116 -18.8586 1.9973 C.2 1 noname 0.0080 6 C4 21.9477 -18.7996 4.5843 C.2 1 noname 0.0526 7 C5 20.1337 -17.2175 4.0893 C.2 1 noname 0.0407 8 C6 16.7255 -18.0375 1.6223 C.2 1 noname 0.0684 9 C7 17.8216 -20.1816 1.5043 C.2 1 noname 0.0166 10 C8 22.5557 -17.7765 5.3624 C.2 1 noname 0.0251 11 C9 22.5237 -20.0906 4.4094 C.2 1 noname -0.0472 12 C10 20.7377 -16.2115 4.8534 C.2 1 noname -0.0005 13 N2 15.7534 -18.5315 0.8193 N.2 1 noname -0.2529 14 N3 16.5925 -16.7624 2.0183 N.3 1 noname -0.1095 15 C11 16.8005 -20.6856 0.6694 C.2 1 noname -0.0273 16 O2 23.7167 -17.9955 6.0255 O.3 1 noname -0.2809 17 C12 21.9567 -16.5034 5.4924 C.2 1 noname -0.0053 18 C13 23.9057 -20.2456 4.1534 C.2 1 noname -0.0254 19 C14 21.7246 -21.2576 4.4564 C.2 1 noname -0.0254 20 C15 15.7554 -19.7985 0.3403 C.2 1 noname 0.0296 21 C16 16.8315 -22.0215 0.1844 C.2 1 noname 0.0130 22 C17 24.4647 -21.5176 3.9424 C.2 1 noname -0.0235 23 C18 22.2836 -22.5296 4.2425 C.2 1 noname -0.0235 24 C19 15.9554 -22.6465 -0.6985 C.2 1 noname 0.0297 25 C20 17.7525 -23.0215 0.4784 C.2 1 noname -0.0662 26 C21 23.6606 -22.6685 3.9795 C.2 1 noname 0.0109 27 N4 16.3473 -23.9145 -0.9004 N.2 1 noname -0.2932 28 N5 17.4154 -24.1325 -0.1984 N.3 1 noname -0.0213 29 O3 24.2726 -23.8685 3.7485 O.3 1 noname -0.2764 30 C22 18.1074 -25.3775 -0.1694 C.3 1 noname -0.0220 31 C23 23.5475 -25.1005 3.6866 C.3 1 noname 0.0423 32 C24 19.5594 -25.2255 -0.6594 C.3 1 noname -0.0199 33 C25 18.1023 -25.9895 1.2436 C.3 1 noname -0.0199 34 C26 20.2823 -26.5785 -0.5833 C.3 1 noname -0.0030 35 C27 18.8813 -27.3135 1.2436 C.3 1 noname -0.0030 36 N6 20.2643 -27.0905 0.7956 N.3 1 noname -0.3165 37 H1 18.5976 -20.7936 1.7634 H 1 noname 0.0638 38 H2 20.3046 -15.2914 4.9445 H 1 noname 0.0647 39 H3 15.8254 -16.2464 1.7263 H 1 noname 0.1258 40 H4 17.2605 -16.3574 2.5934 H 1 noname 0.1258 41 H5 24.0427 -17.2314 6.5455 H 1 noname 0.2182 42 H6 22.4106 -15.7854 6.0595 H 1 noname 0.0651 43 H7 24.5157 -19.4285 4.1024 H 1 noname 0.0630 44 H8 20.7245 -21.1915 4.6485 H 1 noname 0.0630 45 H9 14.9843 -20.0934 -0.2595 H 1 noname 0.0846 46 H10 25.4636 -21.6035 3.7535 H 1 noname 0.0650 47 H11 21.6805 -23.3505 4.2795 H 1 noname 0.0650 48 H12 15.1393 -22.2155 -1.1355 H 1 noname 0.0863 49 H13 18.5554 -22.9355 1.1035 H 1 noname 0.0816 50 H14 17.5963 -26.0735 -0.8384 H 1 noname 0.0527 51 H15 24.2465 -25.9095 3.4726 H 1 noname 0.0535 52 H16 23.0594 -25.3004 4.6416 H 1 noname 0.0535 53 H17 22.7994 -25.0614 2.8926 H 1 noname 0.0535 54 H18 19.5603 -24.8714 -1.6904 H 1 noname 0.0299 55 H19 20.0903 -24.5064 -0.0333 H 1 noname 0.0299 56 H20 18.5703 -25.3025 1.9496 H 1 noname 0.0299 57 H21 17.0732 -26.1755 1.5556 H 1 noname 0.0299 58 H22 19.7983 -27.2925 -1.2523 H 1 noname 0.0428 59 H23 21.3173 -26.4475 -0.8993 H 1 noname 0.0428 60 H24 18.8983 -27.7164 2.2567 H 1 noname 0.0428 61 H25 18.3883 -28.0304 0.5867 H 1 noname 0.0428 62 H26 20.7243 -28.0044 0.7807 H 1 noname 0.1222 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 7 1 8 5 8 2 9 5 9 1 10 6 10 1 11 6 11 1 12 7 12 2 13 8 13 1 14 8 14 1 15 9 15 2 16 9 37 1 17 10 16 1 18 10 17 2 19 11 18 2 20 11 19 1 21 12 17 1 22 12 38 1 23 13 20 2 24 14 39 1 25 14 40 1 26 15 21 1 27 15 20 1 28 16 41 1 29 17 42 1 30 18 22 1 31 18 43 1 32 19 23 2 33 19 44 1 34 20 45 1 35 21 24 1 36 21 25 2 37 22 26 2 38 22 46 1 39 23 26 1 40 23 47 1 41 24 27 2 42 24 48 1 43 25 28 1 44 25 49 1 45 26 29 1 46 27 28 1 47 28 30 1 48 29 31 1 49 30 32 1 50 30 33 1 51 30 50 1 52 31 51 1 53 31 52 1 54 31 53 1 55 32 34 1 56 32 54 1 57 32 55 1 58 33 35 1 59 33 56 1 60 33 57 1 61 34 36 1 62 34 58 1 63 34 59 1 64 35 36 1 65 35 60 1 66 35 61 1 67 36 62 1 @SUBSTRUCTURE 1 noname 1