@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440119 29 29 1 SMALL USER_CHARGES @ATOM 1 O1 10.9526 -25.6884 2.8604 O.2 1 noname -0.2936 2 C1 10.7616 -26.8984 2.6094 C.2 1 noname 0.0184 3 N1 11.6946 -27.7394 3.0864 N.3 1 noname -0.0848 4 C2 9.6375 -27.3464 1.8724 C.2 1 noname -0.0003 5 C3 8.6424 -26.4783 1.3614 C.2 1 noname 0.0732 6 C4 9.4525 -28.7184 1.6064 C.2 1 noname 0.0452 7 N2 7.5944 -26.9853 0.6664 N.2 1 noname -0.2384 8 N3 8.6964 -25.1372 1.5415 N.3 1 noname -0.0978 9 N4 8.3834 -29.1593 0.9044 N.2 1 noname -0.2615 10 C5 7.4503 -28.3083 0.4305 C.2 1 noname 0.0922 11 C6 7.7143 -24.2431 1.0405 C.3 1 noname -0.0101 12 N5 6.4033 -28.7953 -0.2624 N.3 1 noname -0.0666 13 C7 5.3802 -27.9652 -0.7894 C.3 1 noname 0.0152 14 C8 4.3391 -28.8232 -1.5174 C.3 1 noname 0.0054 15 N6 3.2800 -27.9661 -2.0533 N.3 1 noname -0.3291 16 H1 12.4456 -27.3833 3.5855 H 1 noname 0.1274 17 H2 11.6215 -28.6934 2.9374 H 1 noname 0.1274 18 H3 10.1274 -29.4083 1.9405 H 1 noname 0.0849 19 H4 9.4434 -24.7652 2.0365 H 1 noname 0.1293 20 H5 7.9843 -23.2241 1.3175 H 1 noname 0.0396 21 H6 7.6623 -24.3151 -0.0464 H 1 noname 0.0396 22 H7 6.7383 -24.4811 1.4676 H 1 noname 0.0396 23 H8 6.3512 -29.7523 -0.4033 H 1 noname 0.1312 24 H9 5.8111 -27.2501 -1.4933 H 1 noname 0.0446 25 H10 4.8931 -27.4212 0.0216 H 1 noname 0.0446 26 H11 4.8151 -29.3601 -2.3384 H 1 noname 0.0438 27 H12 3.9020 -29.5402 -0.8213 H 1 noname 0.0438 28 H13 2.5859 -28.5841 -2.4803 H 1 noname 0.1184 29 H14 2.8270 -27.5191 -1.2543 H 1 noname 0.1184 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 16 1 5 3 17 1 6 4 5 2 7 4 6 1 8 5 7 1 9 5 8 1 10 6 9 2 11 6 18 1 12 7 10 2 13 8 11 1 14 8 19 1 15 9 10 1 16 10 12 1 17 11 20 1 18 11 21 1 19 11 22 1 20 12 13 1 21 12 23 1 22 13 14 1 23 13 24 1 24 13 25 1 25 14 15 1 26 14 26 1 27 14 27 1 28 15 28 1 29 15 29 1 @SUBSTRUCTURE 1 noname 1