@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3929 46 48 1 SMALL USER_CHARGES @ATOM 1 O1 -3.9958 0.3547 1.5082 O.3 1 noname -0.2729 2 C1 -2.7639 0.6257 0.9892 C.2 1 noname 0.0195 3 C2 -4.8068 -0.7342 1.0593 C.3 1 noname 0.0534 4 C3 -2.1489 -0.1551 -0.0156 C.2 1 noname 0.0238 5 C4 -2.1019 1.7688 1.4873 C.2 1 noname -0.0110 6 C5 -6.1709 -0.6521 1.7543 C.3 1 noname -0.0279 7 C6 -0.8889 0.2318 -0.4926 C.2 1 noname 0.0183 8 C7 -0.8360 2.1458 0.9983 C.2 1 noname -0.0190 9 C8 -6.9059 0.6348 1.3454 C.3 1 noname -0.0382 10 N1 -0.1390 -0.3331 -1.4455 N.2 1 noname -0.2397 11 C9 -0.2310 1.3549 0.0034 C.2 1 noname -0.0539 12 C10 -8.2510 0.7499 2.0784 C.3 1 noname -0.0023 13 C11 0.9609 0.4349 -1.5375 C.2 1 noname -0.0346 14 N2 0.9379 1.4679 -0.6635 N.3 1 noname -0.0190 15 N3 -9.0660 1.8689 1.5585 N.3 1 noname -0.3093 16 C12 1.9198 2.4160 -0.5245 C.2 1 noname -0.0236 17 C13 -10.4051 1.8199 2.1745 C.3 1 noname -0.0136 18 C14 -8.4471 3.1759 1.8535 C.3 1 noname -0.0136 19 C15 2.5628 2.9570 -1.6614 C.2 1 noname -0.0547 20 C16 2.3298 2.8640 0.7515 C.2 1 noname -0.0547 21 C17 3.5688 3.9290 -1.5294 C.2 1 noname -0.0619 22 C18 3.3367 3.8351 0.8875 C.2 1 noname -0.0619 23 C19 3.9547 4.3701 -0.2533 C.2 1 noname -0.0850 24 H1 -4.9559 -0.6801 -0.0216 H 1 noname 0.0571 25 H2 -4.3309 -1.6831 1.3133 H 1 noname 0.0571 26 H3 -2.6099 -0.9801 -0.3986 H 1 noname 0.0673 27 H4 -2.5510 2.3368 2.2073 H 1 noname 0.0650 28 H5 -6.7709 -1.5181 1.4714 H 1 noname 0.0290 29 H6 -6.0219 -0.6591 2.8354 H 1 noname 0.0290 30 H7 -0.3790 2.9839 1.3564 H 1 noname 0.0644 31 H8 -6.2810 1.4929 1.5944 H 1 noname 0.0280 32 H9 -7.0820 0.6219 0.2694 H 1 noname 0.0280 33 H10 -8.7980 -0.1820 1.9275 H 1 noname 0.0430 34 H11 -8.0710 0.8789 3.1474 H 1 noname 0.0430 35 H12 1.7248 0.2439 -2.1885 H 1 noname 0.1019 36 H13 -11.0241 2.6250 1.7795 H 1 noname 0.0394 37 H14 -10.8831 0.8680 1.9406 H 1 noname 0.0394 38 H15 -10.3291 1.9250 3.2585 H 1 noname 0.0394 39 H16 -9.1151 3.9800 1.5436 H 1 noname 0.0394 40 H17 -8.2451 3.2710 2.9215 H 1 noname 0.0394 41 H18 -7.5131 3.2800 1.3005 H 1 noname 0.0394 42 H19 2.2898 2.6530 -2.5974 H 1 noname 0.0642 43 H20 1.9037 2.4731 1.5915 H 1 noname 0.0642 44 H21 4.0177 4.3161 -2.3603 H 1 noname 0.0623 45 H22 3.6197 4.1481 1.8165 H 1 noname 0.0623 46 H23 4.6837 5.0761 -0.1553 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 1 6 3 24 1 7 3 25 1 8 4 7 1 9 4 26 1 10 5 8 2 11 5 27 1 12 6 9 1 13 6 28 1 14 6 29 1 15 7 10 1 16 7 11 2 17 8 11 1 18 8 30 1 19 9 12 1 20 9 31 1 21 9 32 1 22 10 13 2 23 11 14 1 24 12 15 1 25 12 33 1 26 12 34 1 27 13 14 1 28 13 35 1 29 14 16 1 30 15 17 1 31 15 18 1 32 16 19 2 33 16 20 1 34 17 36 1 35 17 37 1 36 17 38 1 37 18 39 1 38 18 40 1 39 18 41 1 40 19 21 1 41 19 42 1 42 20 22 2 43 20 43 1 44 21 23 2 45 21 44 1 46 22 23 1 47 22 45 1 48 23 46 1 @SUBSTRUCTURE 1 noname 1