@MOLECULE DB03126 58 61 1 SMALL USER_CHARGES @ATOM 1 P1 9.1681 -12.1892 6.5105 P 1 noname 0.0669 2 O1 8.7606 -13.1088 7.5793 O.2 1 noname -0.1856 3 O2 10.3133 -12.8359 5.5945 O.3 1 noname -0.0280 4 O3 9.7316 -10.8816 7.2224 O.3 1 noname -0.1456 5 O4 7.9067 -11.7808 5.6333 O.3 1 noname -0.1575 6 P2 9.8357 -14.1552 4.8328 P 1 noname 0.0623 7 C1 10.1386 -9.9222 6.2545 C.3 1 noname 0.0914 8 O5 10.9240 -14.6935 4.0104 O.2 1 noname -0.1871 9 O6 8.5932 -13.8142 3.9075 O.3 1 noname -0.1585 10 O7 9.3924 -15.2382 5.9032 O.3 1 noname -0.1585 11 C2 10.7191 -8.7421 7.0039 C.3 1 noname 0.1112 12 O8 11.8347 -9.0774 7.7821 O.3 1 noname -0.3511 13 C3 11.1708 -7.7197 5.9982 C.3 1 noname 0.1002 14 C4 12.4847 -7.8171 7.8803 C.3 1 noname 0.1330 15 O9 10.2858 -6.6340 5.9266 O.3 1 noname -0.2023 16 C5 12.5049 -7.2442 6.4663 C.3 1 noname 0.0204 17 N1 13.7340 -7.9761 8.5417 N.3 1 noname 0.0247 18 C6 9.6727 -6.3632 4.7475 C.2 1 noname 0.0893 19 C7 13.8129 -8.4846 9.7742 C.2 1 noname 0.1237 20 C8 14.9974 -7.7101 8.1083 C.2 1 noname -0.0368 21 O10 9.9071 -7.1031 3.7644 O.2 1 noname -0.2569 22 C9 8.7596 -5.2764 4.5816 C.2 1 noname -0.0179 23 N2 12.8506 -8.9141 10.6524 N.2 1 noname -0.2443 24 C10 15.1683 -8.5472 10.0565 C.2 1 noname 0.0252 25 N3 15.8925 -8.0624 9.0395 N.2 1 noname -0.2174 26 C11 8.0719 -4.9741 3.3322 C.2 1 noname 0.0170 27 C12 8.5319 -4.4578 5.7445 C.2 1 noname -0.0098 28 C13 13.2098 -9.4325 11.8600 C.2 1 noname 0.0503 29 C14 15.5264 -9.0904 11.2925 C.2 1 noname 0.0729 30 N4 8.0628 -5.5390 2.0717 N.3 1 noname -0.1358 31 C15 7.1875 -3.8695 3.2921 C.2 1 noname -0.0526 32 C16 7.6406 -3.3641 5.6620 C.2 1 noname -0.0753 33 N5 14.5445 -9.5104 12.1505 N.2 1 noname -0.2576 34 N6 16.8178 -9.1958 11.6092 N.3 1 noname -0.1031 35 C17 8.6584 -6.6227 1.3584 C.3 1 noname -0.0115 36 C18 6.9704 -3.0687 4.4431 C.2 1 noname -0.0382 37 H1 7.1776 -11.5448 6.2116 H 1 noname 0.2283 38 H2 10.9393 -10.3896 5.6815 H 1 noname 0.0605 39 H3 9.2291 -9.5930 5.7519 H 1 noname 0.0605 40 H4 7.8335 -13.6057 4.4560 H 1 noname 0.2283 41 H5 9.5343 -14.8914 6.7871 H 1 noname 0.2283 42 H6 9.9891 -8.3773 7.7266 H 1 noname 0.0656 43 H7 11.1726 -8.1108 4.9808 H 1 noname 0.0639 44 H8 11.9848 -7.1340 8.5670 H 1 noname 0.0824 45 H9 13.2773 -7.7486 5.8858 H 1 noname 0.0338 46 H10 12.4870 -6.1556 6.5199 H 1 noname 0.0338 47 H11 15.2576 -7.2733 7.1441 H 1 noname 0.1016 48 H12 9.0349 -4.6663 6.6888 H 1 noname 0.0631 49 H13 12.4553 -9.7732 12.5691 H 1 noname 0.1062 50 H14 7.4309 -4.9970 1.4999 H 1 noname 0.1278 51 H15 6.6675 -3.6329 2.3638 H 1 noname 0.0639 52 H16 7.4694 -2.7454 6.5428 H 1 noname 0.0622 53 H17 17.2355 -10.1075 11.7291 H 1 noname 0.1258 54 H18 17.3779 -8.3639 11.7291 H 1 noname 0.1258 55 H19 9.0573 -7.3485 2.0670 H 1 noname 0.0395 56 H20 7.9063 -7.1021 0.7318 H 1 noname 0.0395 57 H21 9.4662 -6.2449 0.7318 H 1 noname 0.0395 58 H22 6.2854 -2.2224 4.3906 H 1 noname 0.0623 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 11 7 1 11 11 12 1 12 11 13 1 13 12 14 1 14 13 15 1 15 13 16 1 16 14 17 1 17 14 16 1 18 15 18 1 19 17 19 1 20 17 20 1 21 18 21 2 22 18 22 1 23 19 23 2 24 19 24 1 25 20 25 2 26 22 26 2 27 22 27 1 28 23 28 1 29 24 29 2 30 24 25 1 31 26 30 1 32 26 31 1 33 27 32 2 34 28 33 2 35 29 34 1 36 29 33 1 37 30 35 1 38 31 36 2 39 32 36 1 40 5 37 1 41 7 38 1 42 7 39 1 43 9 40 1 44 10 41 1 45 11 42 1 46 13 43 1 47 14 44 1 48 16 45 1 49 16 46 1 50 20 47 1 51 27 48 1 52 28 49 1 53 30 50 1 54 31 51 1 55 32 52 1 56 34 53 1 57 34 54 1 58 35 55 1 59 35 56 1 60 35 57 1 61 36 58 1 @SUBSTRUCTURE 1 noname 1