@MOLECULE DB03983 41 44 1 SMALL USER_CHARGES @ATOM 1 Mo1 1.1519 -4.3602 0.8933 Mo 1 noname 0.4501 2 S1 2.6768 -2.3530 0.4907 S.3 1 noname -0.0094 3 S2 1.1877 -3.1828 3.1625 S.3 1 noname -0.0075 4 S3 1.2223 -4.8793 -1.5821 S.3 1 noname -0.0171 5 O1 -0.9053 -4.3141 0.8522 O.2 1 noname -0.3165 6 O2 2.0558 -6.0809 1.5120 O.2 1 noname -0.3165 7 C1 1.4288 -1.4190 1.2090 C.2 1 noname 0.0425 8 C2 0.7290 -1.7742 2.3120 C.2 1 noname 0.0439 9 C3 1.0508 -0.3169 0.3541 C.3 1 noname 0.0830 10 C4 -0.5366 -1.0672 2.6668 C.3 1 noname 0.1149 11 N1 1.6655 0.9622 0.6970 N.3 1 noname -0.1075 12 C5 -0.5030 -0.1331 0.3595 C.3 1 noname 0.1344 13 O3 -0.8825 0.0260 1.7566 O.3 1 noname -0.3499 14 C6 -1.7732 -1.9897 2.6980 C.3 1 noname 0.0935 15 C7 1.2632 2.1706 0.1478 C.2 1 noname -0.0033 16 N2 -0.8256 1.0996 -0.3434 N.3 1 noname -0.0923 17 O4 -2.9220 -1.2297 3.0431 O.3 1 noname -0.1523 18 C8 -0.0172 2.2231 -0.4750 C.2 1 noname -0.0164 19 C9 2.1620 3.2172 -0.0218 C.2 1 noname 0.0632 20 P1 -4.1562 -2.1502 3.0742 P 1 noname 0.0150 21 N3 -0.5087 3.3956 -0.8986 N.2 1 noname -0.2209 22 O5 3.2853 3.1711 0.5245 O.2 1 noname -0.2816 23 N4 1.8243 4.2757 -0.7710 N.3 1 noname 0.0460 24 O6 -5.3212 -1.3796 3.4242 O.2 1 noname -0.1966 25 O7 -4.3586 -2.7847 1.6856 O.3 1 noname -0.1645 26 O8 -3.9422 -3.2606 4.1197 O.3 1 noname -0.1645 27 C10 0.4305 4.4499 -1.0710 C.2 1 noname -0.0811 28 N5 0.0039 5.6363 -1.5251 N.3 1 noname -0.1237 29 H1 1.2273 -6.1876 -1.7573 H 1 noname 0.0966 30 H2 1.4954 -0.6029 -0.5991 H 1 noname 0.0566 31 H3 -0.2867 -0.6444 3.6398 H 1 noname 0.0685 32 H4 2.4238 1.0149 1.3620 H 1 noname 0.1292 33 H5 -1.0723 -0.9405 -0.1010 H 1 noname 0.0801 34 H6 -1.9575 -2.3461 1.6845 H 1 noname 0.0608 35 H7 -1.6449 -2.7033 3.5118 H 1 noname 0.0608 36 H8 -1.7237 1.1862 -0.7972 H 1 noname 0.1324 37 H9 2.5605 4.8921 -1.0841 H 1 noname 0.1400 38 H10 -4.3468 -3.7412 1.7661 H 1 noname 0.2283 39 H11 -4.0140 -2.8880 5.0015 H 1 noname 0.2283 40 H12 0.6662 6.3793 -1.6963 H 1 noname 0.1268 41 H13 -0.9799 5.7874 -1.6963 H 1 noname 0.1268 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 2 5 1 6 2 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 18 1 22 17 20 1 23 18 21 1 24 19 22 2 25 19 23 1 26 20 24 2 27 20 25 1 28 20 26 1 29 21 27 2 30 23 27 1 31 27 28 1 32 4 29 1 33 9 30 1 34 10 31 1 35 11 32 1 36 12 33 1 37 14 34 1 38 14 35 1 39 16 36 1 40 23 37 1 41 25 38 1 42 26 39 1 43 28 40 1 44 28 41 1 @SUBSTRUCTURE 1 noname 1