@MOLECULE DB02137 74 79 1 SMALL USER_CHARGES @ATOM 1 Mo1 6.5993 -1.4777 1.9102 Mo 1 noname 0.4305 2 S1 7.4376 0.0681 3.7590 S.3 1 noname 0.0346 3 S2 4.5907 -0.0171 2.4672 S.3 1 noname 0.0350 4 O1 8.1879 -2.7490 2.1804 O.2 1 noname -0.1972 5 O2 7.1179 -0.8106 -0.0637 O.3 1 noname -0.3968 6 O3 5.2936 -3.1993 2.0328 O.3 1 noname -0.6890 7 C1 6.0659 -0.3173 4.7193 C.2 1 noname 0.1371 8 C2 4.8250 -0.3883 4.1357 C.2 1 noname 0.1375 9 C3 6.2964 -0.5385 6.1544 C.3 1 noname 0.0918 10 C4 3.6459 -0.7987 4.8999 C.3 1 noname 0.1213 11 N1 7.6104 -1.0469 6.4904 N.3 1 noname -0.1634 12 C5 5.1877 -1.4391 6.7907 C.3 1 noname 0.1444 13 O4 3.8577 -1.1176 6.3066 O.3 1 noname -0.3441 14 C6 2.8939 -1.9748 4.2600 C.3 1 noname 0.0974 15 C7 7.8864 -2.3204 6.8871 C.2 1 noname 0.0110 16 N2 5.5529 -2.8358 6.7743 N.3 1 noname -0.0790 17 O5 1.6582 -2.1315 4.9443 O.3 1 noname -0.1450 18 C8 9.1954 -2.7689 7.1590 C.2 1 noname 0.0542 19 C9 6.8303 -3.2690 7.0146 C.2 1 noname 0.0366 20 P1 0.8421 -3.3447 4.3286 P 1 noname 0.0673 21 O6 10.2432 -1.9217 7.0761 O.3 1 noname -0.2461 22 N3 9.3843 -4.0779 7.5082 N.2 1 noname -0.2497 23 N4 7.0886 -4.5691 7.3547 N.2 1 noname -0.2652 24 O7 -0.4879 -3.3701 4.9473 O.2 1 noname -0.1856 25 O8 1.5913 -4.7527 4.4989 O.3 1 noname -0.0270 26 O9 0.6265 -3.0764 2.7741 O.3 1 noname -0.1575 27 C10 8.3667 -4.9874 7.6067 C.2 1 noname 0.0479 28 P2 2.2475 -5.1650 5.9069 P 1 noname 0.0671 29 N5 8.6166 -6.2603 7.9429 N.3 1 noname -0.0846 30 O10 3.2338 -6.2278 5.6284 O.2 1 noname -0.1856 31 O11 1.2744 -5.7694 7.0204 O.3 1 noname -0.1456 32 O12 3.0421 -3.9649 6.5567 O.3 1 noname -0.1575 33 C11 -0.0371 -5.2312 7.1134 C.3 1 noname 0.0915 34 C12 -0.7972 -5.8857 8.2712 C.3 1 noname 0.1127 35 O13 -2.1106 -5.3721 8.3739 O.3 1 noname -0.3508 36 C13 -0.9638 -7.3979 8.1479 C.3 1 noname 0.1124 37 C14 -2.6818 -6.2354 9.3571 C.3 1 noname 0.1514 38 O14 0.2080 -8.0640 8.5849 O.3 1 noname -0.3873 39 C15 -2.0927 -7.6424 9.1265 C.3 1 noname 0.1230 40 N6 -4.0998 -6.2314 9.2182 N.3 1 noname 0.0554 41 O15 -1.6471 -8.1732 10.3545 O.3 1 noname -0.3860 42 C16 -4.8572 -5.7722 10.2750 C.2 1 noname 0.1025 43 C17 -4.6859 -6.6792 8.0336 C.2 1 noname -0.0516 44 O16 -4.3337 -5.3552 11.3307 O.2 1 noname -0.2487 45 N7 -6.2224 -5.7992 10.1017 N.2 1 noname -0.1587 46 C18 -6.0737 -6.7319 7.8382 C.2 1 noname -0.0083 47 C19 -6.8235 -6.2557 8.9533 C.2 1 noname -0.0358 48 N8 -8.1614 -6.2533 8.8791 N.3 1 noname -0.1313 49 H1 6.4297 -0.6615 -0.7162 H 1 noname 0.2188 50 H2 8.0379 -0.6615 -0.2938 H 1 noname 0.2188 51 H3 6.3178 0.4769 6.5502 H 1 noname 0.0695 52 H4 3.0928 0.1405 4.8978 H 1 noname 0.0738 53 H5 8.4224 -0.4482 6.4429 H 1 noname 0.1496 54 H6 5.0525 -1.2747 7.8597 H 1 noname 0.0815 55 H7 2.6336 -1.7004 3.2377 H 1 noname 0.0613 56 H8 3.4571 -2.8879 4.4526 H 1 noname 0.0613 57 H9 4.8711 -3.5559 6.5824 H 1 noname 0.1324 58 H10 10.5348 -1.6859 7.9598 H 1 noname 0.2199 59 H11 0.5622 -3.9146 2.3106 H 1 noname 0.2283 60 H12 7.8524 -6.9085 8.0696 H 1 noname 0.1273 61 H13 9.5691 -6.5715 8.0696 H 1 noname 0.1273 62 H14 2.9975 -4.0322 7.5133 H 1 noname 0.2283 63 H15 0.1013 -4.1777 7.3562 H 1 noname 0.0605 64 H16 -0.5310 -5.5161 6.1844 H 1 noname 0.0605 65 H17 -0.2457 -5.6222 9.1737 H 1 noname 0.0657 66 H18 -1.1008 -7.7915 7.1408 H 1 noname 0.0657 67 H19 -2.4917 -5.8378 10.3541 H 1 noname 0.0816 68 H20 0.2300 -8.0765 9.5446 H 1 noname 0.2106 69 H21 -2.7778 -8.4217 8.7927 H 1 noname 0.0671 70 H22 -1.6621 -9.1321 10.3129 H 1 noname 0.2107 71 H23 -4.0304 -7.0022 7.2248 H 1 noname 0.0759 72 H24 -6.5222 -7.1037 6.9170 H 1 noname 0.0666 73 H25 -8.6640 -5.3777 8.8511 H 1 noname 0.1257 74 H26 -8.6672 -7.1270 8.8511 H 1 noname 0.1257 @BOND 1 1 2 1 2 1 3 1 3 1 4 2 4 1 5 1 5 1 6 1 6 2 7 1 7 3 8 1 8 7 9 1 9 7 8 2 10 8 10 1 11 9 11 1 12 9 12 1 13 10 13 1 14 10 14 1 15 11 15 1 16 12 16 1 17 12 13 1 18 14 17 1 19 15 18 2 20 15 19 1 21 16 19 1 22 17 20 1 23 18 21 1 24 18 22 1 25 19 23 2 26 20 24 2 27 20 25 1 28 20 26 1 29 22 27 2 30 23 27 1 31 25 28 1 32 27 29 1 33 28 30 2 34 28 31 1 35 28 32 1 36 31 33 1 37 34 33 1 38 34 35 1 39 34 36 1 40 35 37 1 41 36 38 1 42 36 39 1 43 37 40 1 44 37 39 1 45 39 41 1 46 40 42 1 47 40 43 1 48 42 44 2 49 42 45 1 50 43 46 2 51 45 47 2 52 46 47 1 53 47 48 1 54 5 49 1 55 5 50 1 56 9 51 1 57 10 52 1 58 11 53 1 59 12 54 1 60 14 55 1 61 14 56 1 62 16 57 1 63 21 58 1 64 26 59 1 65 29 60 1 66 29 61 1 67 32 62 1 68 33 63 1 69 33 64 1 70 34 65 1 71 36 66 1 72 37 67 1 73 38 68 1 74 39 69 1 75 41 70 1 76 43 71 1 77 46 72 1 78 48 73 1 79 48 74 1 @SUBSTRUCTURE 1 noname 1