@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441562 30 31 1 SMALL USER_CHARGES @ATOM 1 O1 2.7220 -8.5344 0.9652 O.2 1 noname -0.2810 2 C1 3.8680 -8.0814 0.7493 C.2 1 noname 0.0635 3 N1 3.9969 -6.7693 0.4043 N.3 1 noname 0.0141 4 C2 5.0200 -8.8984 0.8583 C.2 1 noname 0.0622 5 C3 5.2059 -6.1942 0.1543 C.2 1 noname -0.0814 6 N2 4.9189 -10.2074 1.1984 N.2 1 noname -0.2189 7 C4 6.2900 -8.3253 0.6034 C.2 1 noname 0.0479 8 C5 6.3780 -6.9542 0.2464 C.2 1 noname -0.0120 9 C6 6.0100 -10.9963 1.3064 C.2 1 noname 0.0555 10 C7 7.4140 -9.1703 0.7244 C.2 1 noname 0.0581 11 N3 7.2320 -10.4683 1.0695 N.2 1 noname -0.2204 12 N4 8.6640 -8.6912 0.4974 N.3 1 noname -0.0988 13 C8 9.8840 -9.4252 0.5855 C.3 1 noname 0.0157 14 C9 11.0130 -8.4391 0.2345 C.3 1 noname -0.0470 15 C10 10.1360 -9.9492 2.0126 C.3 1 noname -0.0470 16 C11 9.9320 -10.5842 -0.4304 C.3 1 noname -0.0470 17 H1 3.1949 -6.2282 0.3363 H 1 noname 0.1368 18 H2 5.2569 -5.2071 -0.1016 H 1 noname 0.0754 19 H3 7.2800 -6.5142 0.0574 H 1 noname 0.0641 20 H4 5.9129 -11.9793 1.5635 H 1 noname 0.1062 21 H5 8.7380 -7.7571 0.2515 H 1 noname 0.1302 22 H6 11.9780 -8.9431 0.2876 H 1 noname 0.0249 23 H7 10.8690 -8.0541 -0.7754 H 1 noname 0.0249 24 H8 11.0100 -7.6050 0.9376 H 1 noname 0.0249 25 H9 11.1350 -10.3822 2.0757 H 1 noname 0.0249 26 H10 10.0569 -9.1291 2.7267 H 1 noname 0.0249 27 H11 9.4079 -10.7172 2.2717 H 1 noname 0.0249 28 H12 10.9270 -11.0312 -0.4324 H 1 noname 0.0249 29 H13 9.2059 -11.3532 -0.1674 H 1 noname 0.0249 30 H14 9.7079 -10.2091 -1.4294 H 1 noname 0.0249 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 17 1 6 4 6 2 7 4 7 1 8 5 8 2 9 5 18 1 10 6 9 1 11 7 10 2 12 7 8 1 13 8 19 1 14 9 11 2 15 9 20 1 16 10 12 1 17 10 11 1 18 12 13 1 19 12 21 1 20 13 14 1 21 13 15 1 22 13 16 1 23 14 22 1 24 14 23 1 25 14 24 1 26 15 25 1 27 15 26 1 28 15 27 1 29 16 28 1 30 16 29 1 31 16 30 1 @SUBSTRUCTURE 1 noname 1